 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer04_STD_M11_augccpVDZ.in
 Output=22_phenylethanamine_conformer04_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-9658.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      9667.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer04_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:09:07 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer04_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.015699000000     -1.138132000000     -0.153815000000
  C                                                 0.638227000000     -1.184978000000     -0.311533000000
  C                                                -0.141832000000     -0.032477000000     -0.189620000000
  C                                                 0.500424000000      1.172188000000      0.084373000000
  C                                                 1.881262000000      1.221600000000      0.250761000000
  C                                                 2.644485000000      0.068526000000      0.135177000000
  C                                                -1.649929000000     -0.124479000000     -0.356486000000
  N                                                -2.274918000000      1.199425000000     -0.317152000000
  C                                                -2.260426000000     -1.102776000000      0.659981000000
  H                                                -2.265656000000      1.564094000000      0.630511000000
  H                                                -1.839228000000     -0.517618000000     -1.360895000000
  H                                                -2.090423000000     -0.739339000000      1.676400000000
  H                                                -1.826100000000     -2.100418000000      0.585451000000
  H                                                -3.337367000000     -1.189506000000      0.500207000000
  H                                                -0.079749000000      2.081767000000      0.140221000000
  H                                                 2.359886000000      2.169228000000      0.463823000000
  H                                                 3.718801000000      0.107980000000      0.260806000000
  H                                                 2.599874000000     -2.043659000000     -0.258670000000
  H                                                 0.164968000000     -2.131705000000     -0.542207000000
  H                                                -3.248037000000      1.126363000000     -0.588600000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:09:08 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.387263   0.000000
     3  C    2.424602   1.397002   0.000000
     4  C    2.773152   2.394152   1.392402   0.000000
     5  C    2.397935   2.766393   2.420652   1.391704   0.000000
     6  C    1.391011   2.407466   2.807001   2.411980   1.387605
     7  C    3.808595   2.522367   1.520087   2.549455   3.827530
     8  N    4.888788   3.764548   2.466557   2.804369   4.194860
     9  C    4.353017   3.058232   2.521072   3.623407   4.766945
    10  H    5.123201   4.108209   2.780698   2.846587   4.178330
    11  H    4.086874   2.772059   2.118584   3.227726   4.411843
    12  H    4.513198   3.405290   2.789031   3.591793   4.653172
    13  H    4.028887   2.777682   2.777386   4.046448   4.989224
    14  H    5.393116   4.057621   3.467855   4.525390   5.754107
    15  H    3.852935   3.375084   2.140719   1.080303   2.144218
    16  H    3.382096   3.849154   3.396040   2.143751   1.082809
    17  H    2.150642   3.389579   3.889357   3.394351   2.148674
    18  H    1.082698   2.142005   3.400966   3.855780   3.381988
    19  H    2.136174   1.083271   2.150628   3.379474   3.849561
    20  H    5.746642   4.530134   3.339252   3.808668   5.198394
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.326774   0.000000
     8  N    5.067944   1.464541   0.000000
     9  C    5.070061   1.537198   2.501025   0.000000
    10  H    5.156701   2.050503   1.015448   2.667038   0.000000
    11  H    4.762928   1.095094   2.056079   2.145637   2.912227
    12  H    5.044538   2.169035   2.786951   1.092747   2.535822
    13  H    4.989308   2.196046   3.450376   1.090634   3.691055
    14  H    6.123597   2.171555   2.739318   1.092178   2.957678
    15  H    3.387420   2.753126   2.409665   3.894460   2.299252
    16  H    2.145216   4.691760   4.799151   5.664960   4.667934
    17  H    1.082356   5.409099   6.119637   6.113626   6.170144
    18  H    2.149054   4.664080   5.855306   5.035047   6.122084
    19  H    3.383470   2.712434   4.135229   2.895943   4.576257
    20  H    6.030314   2.042653   1.012908   2.739232   1.625704
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.055719   0.000000
    13  H    2.508723   1.764248   0.000000
    14  H    2.481845   1.772272   1.766623   0.000000
    15  H    3.479356   3.789630   4.553970   4.630647   0.000000
    16  H    5.308606   5.453013   5.980564   6.613706   2.462557
    17  H    5.823485   6.038952   5.977319   7.178460   4.282448
    18  H    4.821756   5.238762   4.506108   6.046181   4.935447
    19  H    2.700431   3.456543   2.288437   3.773687   4.275388
    20  H    2.298664   3.154543   3.716506   2.560611   3.388514
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477218   0.000000
    18  H    4.281122   2.480202   0.000000
    19  H    4.932321   4.276768   2.452940   0.000000
    20  H    5.800342   7.091927   6.660027   4.718661   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.41D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4178168           1.1702025           0.9286938
 Leave Link  202 at Thu Aug 12 21:09:08 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3718298430 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:09:10 2021, MaxMem=  5368709120 cpu:              16.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.69D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 21:09:11 2021, MaxMem=  5368709120 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:09:12 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer04_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:09:13 2021, MaxMem=  5368709120 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368493398 LenY=  5368387981
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.015543217230    
 DIIS: error= 2.99D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.015543217230     IErMin= 1 ErrMin= 2.99D-03
 ErrMax= 2.99D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-02 BMatP= 1.05D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 2.99D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.402 Goal=   None    Shift=    0.000
 GapD=    0.402 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.98D-02 MaxDP=4.89D+00              OVMax= 1.81D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.92D-02    CP:  2.03D+00
 E= -366.025839306638     Delta-E=       -0.010296089408 Rises=F Damp=F
 DIIS: error= 5.67D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.025839306638     IErMin= 2 ErrMin= 5.67D-04
 ErrMax= 5.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-04 BMatP= 1.05D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.67D-03
 Coeff-Com: -0.669D-01 0.107D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.665D-01 0.107D+01
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=1.70D-02 MaxDP=1.11D+00 DE=-1.03D-02 OVMax= 6.71D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.73D-03    CP:  2.24D+00  1.21D+00
 E= -366.026159863457     Delta-E=       -0.000320556819 Rises=F Damp=F
 DIIS: error= 1.97D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -366.026159863457     IErMin= 3 ErrMin= 1.97D-04
 ErrMax= 1.97D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-05 BMatP= 1.95D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.97D-03
 Coeff-Com: -0.297D-01 0.287D+00 0.743D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.297D-01 0.286D+00 0.744D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.30D-03 MaxDP=8.16D-02 DE=-3.21D-04 OVMax= 1.99D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.48D-04    CP:  2.26D+00  1.23D+00  1.09D+00
 E= -366.026199709450     Delta-E=       -0.000039845993 Rises=F Damp=F
 DIIS: error= 6.59D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.026199709450     IErMin= 4 ErrMin= 6.59D-05
 ErrMax= 6.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.77D-06 BMatP= 3.94D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-02-0.745D-01 0.207D+00 0.867D+00
 Coeff:      0.113D-02-0.745D-01 0.207D+00 0.867D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=3.72D-04 MaxDP=1.92D-02 DE=-3.98D-05 OVMax= 1.15D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.54D-04    CP:  2.26D+00  1.23D+00  1.14D+00  1.31D+00
 E= -366.026207273551     Delta-E=       -0.000007564100 Rises=F Damp=F
 DIIS: error= 2.71D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.026207273551     IErMin= 5 ErrMin= 2.71D-05
 ErrMax= 2.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-07 BMatP= 5.77D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.259D-02-0.433D-01 0.129D-02 0.252D+00 0.788D+00
 Coeff:      0.259D-02-0.433D-01 0.129D-02 0.252D+00 0.788D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=5.96D-05 MaxDP=1.72D-03 DE=-7.56D-06 OVMax= 4.25D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.32D-05    CP:  2.26D+00  1.23D+00  1.15D+00  1.39D+00  1.25D+00
 E= -366.026207971005     Delta-E=       -0.000000697455 Rises=F Damp=F
 DIIS: error= 7.30D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.026207971005     IErMin= 6 ErrMin= 7.30D-06
 ErrMax= 7.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.33D-08 BMatP= 4.94D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.427D-03-0.601D-04-0.252D-01-0.492D-01 0.186D+00 0.888D+00
 Coeff:      0.427D-03-0.601D-04-0.252D-01-0.492D-01 0.186D+00 0.888D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=2.90D-05 MaxDP=2.06D-03 DE=-6.97D-07 OVMax= 2.03D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.22D-05    CP:  2.26D+00  1.23D+00  1.15D+00  1.42D+00  1.31D+00
                    CP:  1.26D+00
 E= -366.026208082650     Delta-E=       -0.000000111645 Rises=F Damp=F
 DIIS: error= 2.14D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.026208082650     IErMin= 7 ErrMin= 2.14D-06
 ErrMax= 2.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.68D-09 BMatP= 5.33D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.199D-03 0.455D-02-0.386D-02-0.364D-01-0.630D-01 0.119D+00
 Coeff-Com:  0.980D+00
 Coeff:     -0.199D-03 0.455D-02-0.386D-02-0.364D-01-0.630D-01 0.119D+00
 Coeff:      0.980D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.29D-05 MaxDP=9.01D-04 DE=-1.12D-07 OVMax= 9.16D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.53D-06    CP:  2.26D+00  1.23D+00  1.15D+00  1.42D+00  1.34D+00
                    CP:  1.35D+00  1.28D+00
 E= -366.026208096259     Delta-E=       -0.000000013609 Rises=F Damp=F
 DIIS: error= 1.26D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.026208096259     IErMin= 8 ErrMin= 1.26D-06
 ErrMax= 1.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-09 BMatP= 4.68D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.112D-03 0.169D-02 0.769D-03-0.943D-02-0.404D-01-0.388D-01
 Coeff-Com:  0.376D+00 0.710D+00
 Coeff:     -0.112D-03 0.169D-02 0.769D-03-0.943D-02-0.404D-01-0.388D-01
 Coeff:      0.376D+00 0.710D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=2.22D-06 MaxDP=1.37D-04 DE=-1.36D-08 OVMax= 2.40D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.06D-06    CP:  2.26D+00  1.23D+00  1.15D+00  1.42D+00  1.34D+00
                    CP:  1.36D+00  1.37D+00  1.11D+00
 E= -366.026208097984     Delta-E=       -0.000000001725 Rises=F Damp=F
 DIIS: error= 3.64D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.026208097984     IErMin= 9 ErrMin= 3.64D-07
 ErrMax= 3.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.27D-11 BMatP= 1.04D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.148D-04-0.496D-03 0.966D-03 0.512D-02 0.282D-02-0.333D-01
 Coeff-Com: -0.968D-01 0.149D+00 0.973D+00
 Coeff:      0.148D-04-0.496D-03 0.966D-03 0.512D-02 0.282D-02-0.333D-01
 Coeff:     -0.968D-01 0.149D+00 0.973D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=2.73D-06 MaxDP=1.64D-04 DE=-1.73D-09 OVMax= 1.21D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.65D-07    CP:  2.26D+00  1.23D+00  1.15D+00  1.42D+00  1.34D+00
                    CP:  1.37D+00  1.41D+00  1.24D+00  1.15D+00
 E= -366.026208098243     Delta-E=       -0.000000000259 Rises=F Damp=F
 DIIS: error= 1.01D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -366.026208098243     IErMin=10 ErrMin= 1.01D-07
 ErrMax= 1.01D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.16D-12 BMatP= 9.27D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-04-0.247D-03 0.245D-03 0.212D-02 0.326D-02-0.673D-02
 Coeff-Com: -0.515D-01-0.646D-02 0.286D+00 0.773D+00
 Coeff:      0.109D-04-0.247D-03 0.245D-03 0.212D-02 0.326D-02-0.673D-02
 Coeff:     -0.515D-01-0.646D-02 0.286D+00 0.773D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=2.24D-07 MaxDP=1.53D-05 DE=-2.59D-10 OVMax= 2.07D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  2.26D+00  1.23D+00  1.15D+00  1.42D+00  1.34D+00
                    CP:  1.37D+00  1.41D+00  1.26D+00  1.20D+00  1.11D+00
 E= -366.026208098244     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 5.15D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -366.026208098244     IErMin=11 ErrMin= 5.15D-08
 ErrMax= 5.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-12 BMatP= 9.16D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.353D-06 0.232D-04-0.112D-03-0.384D-03 0.147D-03 0.451D-02
 Coeff-Com:  0.476D-02-0.301D-01-0.103D+00 0.168D+00 0.957D+00
 Coeff:      0.353D-06 0.232D-04-0.112D-03-0.384D-03 0.147D-03 0.451D-02
 Coeff:      0.476D-02-0.301D-01-0.103D+00 0.168D+00 0.957D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.45D-07 MaxDP=8.31D-06 DE=-1.02D-12 OVMax= 1.24D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.96D-08    CP:  2.26D+00  1.23D+00  1.15D+00  1.42D+00  1.34D+00
                    CP:  1.37D+00  1.41D+00  1.26D+00  1.21D+00  1.23D+00
                    CP:  1.22D+00
 E= -366.026208098238     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 2.12D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -366.026208098244     IErMin=12 ErrMin= 2.12D-08
 ErrMax= 2.12D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-13 BMatP= 1.29D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.126D-05 0.332D-04-0.498D-04-0.311D-03-0.376D-03 0.166D-02
 Coeff-Com:  0.673D-02-0.518D-02-0.521D-01-0.554D-01 0.183D+00 0.922D+00
 Coeff:     -0.126D-05 0.332D-04-0.498D-04-0.311D-03-0.376D-03 0.166D-02
 Coeff:      0.673D-02-0.518D-02-0.521D-01-0.554D-01 0.183D+00 0.922D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=7.22D-08 MaxDP=3.90D-06 DE= 5.68D-12 OVMax= 5.57D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.09D-08    CP:  2.26D+00  1.23D+00  1.15D+00  1.42D+00  1.34D+00
                    CP:  1.37D+00  1.41D+00  1.26D+00  1.20D+00  1.25D+00
                    CP:  1.37D+00  1.22D+00
 E= -366.026208098256     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 1.19D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -366.026208098256     IErMin=13 ErrMin= 1.19D-08
 ErrMax= 1.19D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.00D-14 BMatP= 1.68D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.426D-06 0.624D-05 0.355D-05-0.294D-04-0.145D-03-0.256D-03
 Coeff-Com:  0.133D-02 0.350D-02 0.121D-02-0.424D-01-0.102D+00 0.262D+00
 Coeff-Com:  0.877D+00
 Coeff:     -0.426D-06 0.624D-05 0.355D-05-0.294D-04-0.145D-03-0.256D-03
 Coeff:      0.133D-02 0.350D-02 0.121D-02-0.424D-01-0.102D+00 0.262D+00
 Coeff:      0.877D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=2.25D-08 MaxDP=1.04D-06 DE=-1.72D-11 OVMax= 2.93D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  7.64D-09    CP:  2.26D+00  1.23D+00  1.15D+00  1.42D+00  1.34D+00
                    CP:  1.37D+00  1.41D+00  1.26D+00  1.20D+00  1.26D+00
                    CP:  1.41D+00  1.34D+00  1.41D+00
 E= -366.026208098216     Delta-E=        0.000000000040 Rises=F Damp=F
 DIIS: error= 4.85D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -366.026208098256     IErMin=14 ErrMin= 4.85D-09
 ErrMax= 4.85D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.61D-15 BMatP= 4.00D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.200D-06-0.650D-05 0.123D-04 0.673D-04 0.605D-04-0.456D-03
 Coeff-Com: -0.128D-02 0.215D-02 0.128D-01 0.473D-02-0.691D-01-0.186D+00
 Coeff-Com:  0.222D+00 0.102D+01
 Coeff:      0.200D-06-0.650D-05 0.123D-04 0.673D-04 0.605D-04-0.456D-03
 Coeff:     -0.128D-02 0.215D-02 0.128D-01 0.473D-02-0.691D-01-0.186D+00
 Coeff:      0.222D+00 0.102D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.33D-08 MaxDP=4.55D-07 DE= 3.98D-11 OVMax= 1.72D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.59D-09    CP:  2.26D+00  1.23D+00  1.15D+00  1.42D+00  1.34D+00
                    CP:  1.37D+00  1.41D+00  1.27D+00  1.20D+00  1.26D+00
                    CP:  1.42D+00  1.39D+00  1.78D+00  1.47D+00
 E= -366.026208098257     Delta-E=       -0.000000000041 Rises=F Damp=F
 DIIS: error= 1.43D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -366.026208098257     IErMin=15 ErrMin= 1.43D-09
 ErrMax= 1.43D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.12D-16 BMatP= 8.61D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.883D-07-0.178D-05 0.122D-05 0.131D-04 0.295D-04-0.241D-04
 Coeff-Com: -0.380D-03-0.214D-03 0.126D-02 0.696D-02 0.664D-02-0.666D-01
 Coeff-Com: -0.944D-01 0.149D+00 0.998D+00
 Coeff:      0.883D-07-0.178D-05 0.122D-05 0.131D-04 0.295D-04-0.241D-04
 Coeff:     -0.380D-03-0.214D-03 0.126D-02 0.696D-02 0.664D-02-0.666D-01
 Coeff:     -0.944D-01 0.149D+00 0.998D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=7.48D-09 MaxDP=4.46D-07 DE=-4.13D-11 OVMax= 5.21D-08

 SCF Done:  E(RM11) =  -366.026208098     A.U. after   15 cycles
            NFock= 15  Conv=0.75D-08     -V/T= 2.0065
 KE= 3.636578610819D+02 PE=-1.699612901805D+03 EE= 5.445570027820D+02
 Leave Link  502 at Thu Aug 12 21:15:25 2021, MaxMem=  5368709120 cpu:            2969.7 elap:             371.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.13537008D+03

 Leave Link  801 at Thu Aug 12 21:15:25 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 3.32D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 1.87D-01 5.90D-02.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 2.88D-02 4.07D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 2.65D-03 1.10D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 1.79D-04 2.30D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 8.76D-06 4.99D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 3.99D-07 1.34D-04.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 1.17D-08 1.54D-05.
     11 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 3.32D-10 2.31D-06.
     11 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 6.86D-12 3.28D-07.
      8 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 1.54D-13 5.41D-08.
      2 vectors produced by pass 11 Test12= 1.50D-13 8.33D-09 XBig12= 8.71D-15 1.39D-08.
      1 vectors produced by pass 12 Test12= 1.50D-13 8.33D-09 XBig12= 5.14D-15 1.11D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.136077D+03
      2  0.873413D+00  0.112512D+03
      3  0.238806D+01  0.407397D+01  0.758592D+02
 Isotropic polarizability for W=    0.085645      108.15 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.664929D+02  0.310527D+01  0.769193D+01
      2  -0.280536D+02 -0.704428D+01 -0.120865D+02
      3  -0.384392D+02  0.393902D+01  0.439454D+01
      4  -0.143734D+02  0.510102D+02  0.268622D+02
      5   0.195175D+02  0.285865D+02 -0.205152D+02
      6   0.906951D+01  0.562680D+01 -0.741439D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.693073D+00 -0.463740D+00  0.276630D+01
      2   0.116877D+02  0.114656D+02 -0.763477D+01
      3  -0.173204D+00 -0.303456D+02 -0.115671D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.172430D+01  0.177133D+02  0.113534D+02
      2  -0.118256D+02  0.177926D+02  0.179240D+02
      3  -0.174786D+02 -0.790638D+02 -0.195169D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.380302D+00 -0.207002D+01 -0.141393D+01
      2  -0.207002D+01 -0.168194D+01  0.185261D+01
      3  -0.141393D+01  0.185261D+01  0.507017D+00
 OR G Eigenvalues:    -3.2146    -0.9582     3.3781  Iso=     0.2649
 Eigenvectors:
   (1)   0.390780   0.874624  -0.286922
   (2)   0.677614  -0.062371   0.732768
   (3)   0.623001  -0.480773  -0.617031
 w=    0.085645 a.u., Optical Rotation Beta=      0.2649 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =      103.66 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 2.99D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.49D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 4.25D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 4.29D-02 2.46D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 1.52D-03 5.59D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 1.96D-05 6.38D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 3.09D-07 7.81D-05.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 4.73D-09 8.54D-06.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 5.39D-11 7.39D-07.
     30 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 5.05D-13 9.15D-08.
     16 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 9.16D-15 2.22D-08.
      4 vectors produced by pass  9 Test12= 2.50D-14 2.78D-09 XBig12= 8.95D-16 6.54D-09.
      2 vectors produced by pass 10 Test12= 2.50D-14 2.78D-09 XBig12= 8.59D-16 7.41D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.00D-15
 Solved reduced A of dimension   262 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 1.01D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 1.01D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.16D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136077D+03  0.873413D+00  0.238806D+01
      2   0.873413D+00  0.112512D+03  0.407397D+01
      3   0.238806D+01  0.407397D+01  0.758592D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.693073D+00 -0.463740D+00  0.276630D+01
      2   0.116877D+02  0.114656D+02 -0.763477D+01
      3  -0.173204D+00 -0.303456D+02 -0.115671D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.664929D+02  0.310527D+01  0.769193D+01
      2  -0.280536D+02 -0.704428D+01 -0.120865D+02
      3  -0.384392D+02  0.393902D+01  0.439454D+01
      4  -0.143734D+02  0.510102D+02  0.268622D+02
      5   0.195175D+02  0.285865D+02 -0.205152D+02
      6   0.906951D+01  0.562680D+01 -0.741439D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.247448D+01 -0.248744D+00 -0.524288D+00 -0.549903D+01 -0.543647D+00
      2  -0.248744D+00  0.251831D+01  0.710583D+00 -0.543647D+00 -0.724364D+00
      3  -0.524288D+00  0.710583D+00  0.172667D+01 -0.830746D+00  0.105247D+01
                 6             7             8             9            10 
      1  -0.830746D+00 -0.189629D+01 -0.316889D+00  0.282308D+01  0.350206D+01
      2   0.105247D+01 -0.316889D+00  0.148975D+01 -0.330338D+01  0.198006D+01
      3  -0.252971D+01  0.282308D+01 -0.330338D+01 -0.109353D+01  0.684056D+00
                11            12            13            14            15 
      1   0.198006D+01  0.684056D+00 -0.688278D+01 -0.674358D+00  0.220779D+00
      2  -0.297284D+01  0.144038D+00 -0.674358D+00 -0.158249D+01  0.933929D+00
      3   0.144038D+00 -0.149448D+01  0.220779D+00  0.933929D+00 -0.167015D+01
                16            17            18            19            20 
      1   0.702922D-01  0.916677D+00 -0.802302D+00 -0.167199D+02 -0.242166D+01
      2   0.916677D+00  0.593544D+00 -0.310452D+01 -0.242166D+01 -0.266536D+01
      3  -0.802302D+00 -0.310452D+01 -0.227222D+01 -0.716561D+00 -0.208597D+00
                21            22            23            24            25 
      1  -0.716561D+00 -0.310170D+01  0.150658D+01  0.959140D+00 -0.814190D+00
      2  -0.208597D+00  0.150658D+01  0.312919D-01  0.159026D-01  0.817656D+00
      3  -0.215960D+01  0.959140D+00  0.159026D-01 -0.415682D+00 -0.352493D+01
                26            27            28            29            30 
      1   0.817656D+00 -0.352493D+01  0.436289D+01 -0.998668D+00  0.382039D+00
      2   0.403864D-01 -0.502073D+00 -0.998668D+00 -0.321781D+01 -0.752468D+00
      3  -0.502073D+00 -0.146210D+01  0.382039D+00 -0.752468D+00 -0.216213D+01
                31            32            33            34            35 
      1   0.802241D+01  0.627154D-01  0.988749D-01  0.269287D+01 -0.143469D+00
      2   0.627154D-01  0.177150D+01 -0.459806D+00 -0.143469D+00 -0.946214D+00
      3   0.988749D-01 -0.459806D+00  0.202928D+01 -0.160481D+01  0.324749D+01
                36            37            38            39            40 
      1  -0.160481D+01 -0.338103D+01 -0.171087D+00 -0.574490D+00  0.523682D+01
      2   0.324749D+01 -0.171087D+00  0.271870D+01 -0.215001D+00 -0.725312D-01
      3   0.790389D+00 -0.574490D+00 -0.215001D+00  0.114683D+01 -0.260971D+00
                41            42            43            44            45 
      1  -0.725312D-01 -0.260971D+00  0.976576D-01 -0.986688D+00  0.222677D+01
      2   0.106400D+01 -0.931729D+00 -0.986688D+00 -0.977768D+00  0.369454D+01
      3  -0.931729D+00  0.240609D+01  0.222677D+01  0.369454D+01  0.244641D+01
                46            47            48            49            50 
      1   0.566535D+01  0.286112D+00 -0.639059D+00  0.748100D+00 -0.635530D+00
      2   0.286112D+00  0.322156D+01 -0.264041D-01 -0.635530D+00 -0.924570D-01
      3  -0.639059D+00 -0.264041D-01  0.327805D+01 -0.112187D+01 -0.312565D+00
                51            52            53            54            55 
      1  -0.112187D+01 -0.163759D+00 -0.105401D+01  0.524602D+01  0.277308D+01
      2  -0.312565D+00 -0.105401D+01  0.374265D+00  0.867149D-01  0.188379D+01
      3  -0.179259D-01  0.524602D+01  0.867149D-01  0.135700D+01  0.233720D-01
                56            57            58            59            60 
      1   0.188379D+01  0.233720D-01  0.643693D+01  0.459067D+01 -0.115997D+01
      2   0.295772D+01 -0.136677D+01  0.459067D+01  0.960096D+00 -0.384661D+00
      3  -0.136677D+01  0.205385D+01 -0.115997D+01 -0.384661D+00  0.449976D+01
                61            62            63            64            65 
      1  -0.257093D+00 -0.169425D+01  0.387319D+01  0.767296D+01  0.611861D+00
      2  -0.169425D+01 -0.218727D+01  0.429956D+01  0.611861D+00 -0.148523D+01
      3   0.387319D+01  0.429956D+01  0.538775D+01  0.109666D+01  0.118287D+01
                66            67            68            69            70 
      1   0.109666D+01  0.371480D+00 -0.233627D+01  0.157492D+01  0.142015D+01
      2   0.118287D+01 -0.233627D+01  0.290302D+01 -0.126566D+01  0.136419D+01
      3  -0.115095D+00  0.157492D+01 -0.126566D+01 -0.233999D+01 -0.234152D-01
                71            72            73            74            75 
      1   0.136419D+01 -0.234152D-01  0.919363D+01  0.108304D+01  0.171536D+01
      2  -0.100666D+01 -0.145143D+01  0.108304D+01 -0.376079D+01  0.122906D+01
      3  -0.145143D+01 -0.483713D+01  0.171536D+01  0.122906D+01 -0.194073D+01
                76            77            78            79            80 
      1  -0.263708D+01 -0.407124D+01  0.173050D+01  0.504450D+01  0.231542D+01
      2  -0.407124D+01  0.281980D+01  0.868248D+00  0.231542D+01  0.242748D+01
      3   0.173050D+01  0.868248D+00 -0.349357D+01 -0.217998D+01 -0.339264D+01
                81            82            83            84            85 
      1  -0.217998D+01 -0.603306D-01  0.435245D+00  0.464491D+00  0.115297D+01
      2  -0.339264D+01  0.435245D+00  0.962077D-01 -0.312440D+00 -0.658589D+00
      3  -0.440696D+01  0.464491D+00 -0.312440D+00  0.316693D+00 -0.726659D+00
                86            87            88            89            90 
      1  -0.658589D+00 -0.726659D+00  0.191194D+01 -0.106775D+01 -0.994360D+00
      2   0.210194D+01  0.986876D+00 -0.106775D+01  0.220458D+01  0.254333D+01
      3   0.986876D+00  0.253450D+01 -0.994360D+00  0.254333D+01  0.480206D+01
                91            92            93            94            95 
      1  -0.175218D+01 -0.746453D+00 -0.174851D+01 -0.257746D+01 -0.159236D+01
      2  -0.746453D+00 -0.717227D+00 -0.275818D+00 -0.159236D+01 -0.137927D+01
      3  -0.174851D+01 -0.275818D+00 -0.152465D+01 -0.588497D+00 -0.155599D+01
                96            97            98            99           100 
      1  -0.588497D+00 -0.404520D+01 -0.517218D+00 -0.291647D+01 -0.472425D+00
      2  -0.155599D+01 -0.517218D+00 -0.144709D+01 -0.207077D+01  0.750138D-01
      3  -0.235654D+01 -0.291647D+01 -0.207077D+01 -0.763124D+01  0.752675D+00
               101           102           103           104           105 
      1   0.750138D-01  0.752675D+00  0.922312D+00  0.267452D+00 -0.441745D+00
      2   0.591647D+00 -0.115494D+00  0.267452D+00  0.364923D+00  0.101936D+01
      3  -0.115494D+00  0.102770D+01 -0.441745D+00  0.101936D+01  0.212122D+01
               106           107           108           109           110 
      1   0.108270D+01  0.668909D-01 -0.496520D+00  0.923400D+00 -0.986513D+00
      2   0.668909D-01  0.125212D+01  0.547789D+00 -0.986513D+00  0.191648D+01
      3  -0.496520D+00  0.547789D+00  0.744707D+01 -0.347984D+00 -0.439950D+00
               111           112           113           114           115 
      1  -0.347984D+00 -0.179095D+01  0.813459D+00  0.462583D-01 -0.732492D+00
      2  -0.439950D+00  0.813459D+00 -0.819807D+01  0.681211D+00 -0.295282D+00
      3   0.678570D+00  0.462583D-01  0.681211D+00 -0.104268D+01  0.353207D+00
               116           117           118           119           120 
      1  -0.295282D+00  0.353207D+00 -0.132842D+02 -0.255695D+01  0.164593D-01
      2  -0.140958D+00 -0.746999D+00 -0.255695D+01 -0.142232D+01  0.135669D+00
      3  -0.746999D+00  0.444634D+00  0.164593D-01  0.135669D+00 -0.114917D+01
               121           122           123           124           125 
      1  -0.766861D+00 -0.125576D+01 -0.199165D+00 -0.212782D+01 -0.478914D+00
      2  -0.125576D+01 -0.106588D+01 -0.972010D-01 -0.478914D+00 -0.664410D+00
      3  -0.199165D+00 -0.972010D-01  0.242535D+00 -0.113712D+01  0.118862D-02
               126           127           128           129           130 
      1  -0.113712D+01 -0.318292D+01  0.216598D+01 -0.996552D-01  0.230869D+01
      2   0.118862D-02  0.216598D+01 -0.226870D+01 -0.169365D+00 -0.269564D+01
      3   0.382365D-01 -0.996552D-01 -0.169365D+00 -0.191956D+00 -0.199771D+00
               131           132           133           134           135 
      1  -0.269564D+01 -0.199771D+00 -0.300976D+00 -0.934404D-01 -0.166406D-01
      2   0.670707D+01  0.516560D+00 -0.934404D-01  0.521099D+00  0.151956D+00
      3   0.516560D+00  0.745776D+00 -0.166406D-01  0.151956D+00 -0.606235D-01
               136           137           138           139           140 
      1   0.295066D+01  0.305708D+01  0.742883D+00  0.273793D+01  0.414671D+01
      2   0.305708D+01  0.320971D+01  0.748309D+00  0.414671D+01  0.867603D+01
      3   0.742883D+00  0.748309D+00  0.548826D+00  0.846763D+00  0.165218D+01
               141           142           143           144           145 
      1   0.846763D+00  0.783443D+00  0.104608D+01  0.309479D+00  0.134323D+02
      2   0.165218D+01  0.104608D+01  0.190027D+01  0.402513D+00  0.384714D+00
      3   0.109938D+01  0.309479D+00  0.402513D+00  0.277320D+00  0.129027D+01
               146           147           148           149           150 
      1   0.384714D+00  0.129027D+01  0.318887D+00  0.158857D+01  0.335565D+00
      2   0.740847D+00  0.257050D-01  0.158857D+01  0.133611D+00  0.167382D+00
      3   0.257050D-01  0.972413D+00  0.335565D+00  0.167382D+00  0.786928D-01
               151           152           153           154           155 
      1   0.140307D+01  0.355920D+00  0.635722D-01  0.407644D+01 -0.360167D+01
      2   0.355920D+00  0.855627D-01  0.113241D-01 -0.360167D+01  0.360548D+01
      3   0.635722D-01  0.113241D-01  0.993507D-01 -0.347226D+00  0.288397D+00
               156           157           158           159           160 
      1  -0.347226D+00 -0.344722D+01  0.454855D+01  0.661854D+00 -0.340472D+00
      2   0.288397D+00  0.454855D+01 -0.760364D+01 -0.947841D+00  0.523548D+00
      3   0.507420D+00  0.661854D+00 -0.947841D+00 -0.845726D+00  0.986699D-01
               161           162           163           164           165 
      1   0.523548D+00  0.986699D-01 -0.213028D+01 -0.202194D+01 -0.429551D+00
      2  -0.114484D+01 -0.250316D+00 -0.202194D+01 -0.204503D+01 -0.599326D+00
      3  -0.250316D+00 -0.176180D+00 -0.429551D+00 -0.599326D+00 -0.399683D+00
               166           167           168           169           170 
      1  -0.188296D+01 -0.240563D+01 -0.529757D+00 -0.571218D+00 -0.768669D+00
      2  -0.240563D+01 -0.729838D+01 -0.166620D+01 -0.768669D+00 -0.178340D+01
      3  -0.529757D+00 -0.166620D+01 -0.113019D+01 -0.190548D+00 -0.547992D+00
               171           172           173           174           175 
      1  -0.190548D+00 -0.110951D+02  0.179079D+01 -0.174094D+01  0.329497D+00
      2  -0.547992D+00  0.179079D+01 -0.102136D+01  0.169941D-01 -0.583169D+00
      3  -0.389239D+00 -0.174094D+01  0.169941D-01 -0.111952D+01 -0.415507D+00
               176           177           178           179           180 
      1  -0.583169D+00 -0.415507D+00 -0.325711D+01  0.101998D-01 -0.110688D+01
      2   0.411269D+00 -0.272463D+00  0.101998D-01 -0.590468D+00  0.383713D+00
      3  -0.272463D+00  0.849467D-01 -0.110688D+01  0.383713D+00 -0.761003D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111320D+01 -0.356192D+00  0.329912D+01 -0.124706D+01  0.446266D+00
      2  -0.746326D+00  0.231751D+01  0.217170D+01 -0.778593D+00  0.321337D+01
      3  -0.198208D+01 -0.132811D+02 -0.227979D+01  0.489671D+01 -0.827270D+00
                 6             7             8             9            10 
      1  -0.294421D+01  0.647076D+01  0.283971D+01  0.121794D+01 -0.288452D-02
      2  -0.679786D+01 -0.538280D+01 -0.949506D+01 -0.342824D+01  0.327052D+01
      3  -0.244347D+01  0.548995D-01 -0.436759D+01  0.383273D+01 -0.144673D+00
                11            12            13            14            15 
      1   0.960713D+00 -0.279707D+01  0.126441D+01 -0.706019D+00 -0.296506D+01
      2   0.147875D+01 -0.152698D+01  0.938278D+00 -0.122988D+01 -0.139466D+01
      3  -0.170548D+01 -0.173694D+01  0.180738D+01  0.686414D+01 -0.135275D-02
                16            17            18            19            20 
      1  -0.529487D+01  0.222865D+01 -0.114198D+01  0.751816D+00 -0.427869D+00
      2  -0.131452D+02 -0.119064D+01 -0.286821D+01  0.474529D-02 -0.130450D+01
      3  -0.436454D+01 -0.493839D+00  0.544623D+01 -0.657083D+01  0.672598D+01
                21            22            23            24            25 
      1  -0.815734D+00 -0.295552D+01 -0.139874D+01  0.186951D+01  0.970869D+00
      2  -0.161019D+01 -0.132059D+01  0.539495D+00  0.837239D+00 -0.136000D+02
      3   0.369551D+00  0.143540D+02  0.241032D+00  0.501566D+00 -0.168858D+00
                26            27            28            29            30 
      1   0.100442D+02  0.221107D+01 -0.103276D+01 -0.209988D+00  0.323955D+01
      2   0.789070D+00 -0.263727D+00  0.244187D+01  0.772142D-01 -0.133049D+01
      3   0.274013D+01 -0.697031D+00  0.648979D+01 -0.126579D+01  0.141712D+01
                31            32            33            34            35 
      1  -0.761805D+00 -0.182666D+00 -0.286364D+01  0.463001D+01  0.241628D+01
      2   0.335017D+01  0.112473D+01  0.738801D+00 -0.126361D+02  0.346197D+00
      3   0.706261D+01 -0.531927D+01  0.144165D+00  0.200488D+01 -0.167439D+00
                36            37            38            39            40 
      1  -0.622946D-01  0.100495D+01  0.630969D+00 -0.197545D+01  0.100329D+01
      2  -0.676665D+00 -0.160320D+00  0.115634D+01 -0.172308D-01  0.500118D+00
      3  -0.517038D+01 -0.334378D+01 -0.977396D+01 -0.204628D+01  0.609041D+01
                41            42            43            44            45 
      1   0.167848D+00 -0.353829D+01 -0.501832D+01  0.196005D+01 -0.122382D+01
      2  -0.300047D+01  0.697608D+01 -0.728717D+01  0.939752D+01  0.386201D+01
      3  -0.235045D+01  0.179271D+01 -0.176208D+00  0.135108D+01 -0.470289D+01
                46            47            48            49            50 
      1   0.153242D+00 -0.722898D+00 -0.701658D+00 -0.130938D+01 -0.275260D+01
      2  -0.331906D+00 -0.307571D+00  0.979296D+01 -0.336189D+01 -0.423081D+00
      3   0.714374D+00 -0.800052D+01  0.528368D+00  0.107893D+02  0.343300D+01
                51            52            53            54            55 
      1   0.309098D+01 -0.113596D+01  0.108015D+02  0.238236D+01 -0.186024D+01
      2  -0.498169D+00  0.817223D+01  0.210299D+00  0.291773D+01  0.149871D+01
      3   0.205209D+01  0.311723D+01  0.110052D+01  0.931204D+00  0.670341D+01
                56            57            58            59            60 
      1  -0.228466D+00  0.136868D+00 -0.216180D+01 -0.944507D+00  0.112633D+01
      2   0.246878D+01 -0.219047D+01  0.413826D+01  0.250665D+01 -0.701150D+01
      3   0.343944D+01 -0.145613D+01  0.137872D+02 -0.381508D+01  0.632737D+00
                61            62            63            64            65 
      1   0.405996D+01  0.681005D+01 -0.609459D+00 -0.288745D+01 -0.171275D+01
      2  -0.135576D+02 -0.880901D+01 -0.851502D+01  0.362071D+00 -0.196194D+01
      3  -0.171241D+01 -0.541464D+01  0.907022D+01  0.171275D+02 -0.940709D+01
                66            67            68            69            70 
      1   0.609520D+00 -0.100293D+01 -0.116245D+01 -0.265397D+00 -0.406387D+01
      2   0.456985D+01 -0.204181D+01  0.191656D+01  0.544378D+01 -0.366548D+01
      3   0.541380D+01  0.207807D+01  0.617117D+01 -0.205692D+01  0.517408D+01
                71            72            73            74            75 
      1   0.809433D+01  0.946598D+01  0.427337D+01 -0.208656D+01 -0.240935D+01
      2   0.582609D+01  0.110004D+02 -0.118524D+02 -0.512569D+01  0.700268D+01
      3  -0.112503D+01 -0.467449D+01 -0.981158D+01 -0.168513D+02  0.958764D+00
                76            77            78            79            80 
      1   0.552956D+00  0.864545D+01 -0.785862D+01 -0.116476D+01 -0.243196D+01
      2  -0.656090D+01 -0.381242D+00  0.760095D+01  0.170362D+01  0.743615D+01
      3  -0.963768D+01  0.176758D+02  0.213420D+00  0.210326D+01  0.253392D+01
                81            82            83            84            85 
      1  -0.849552D+01 -0.519222D+00  0.650169D+00 -0.360595D+00  0.138836D+01
      2   0.128906D+02 -0.180351D+01  0.105801D+01 -0.508658D+00  0.174829D+01
      3  -0.719178D+01  0.220108D+01  0.653146D+00 -0.144685D+00  0.108962D+01
                86            87            88            89            90 
      1  -0.208929D+01 -0.582272D+01  0.247594D+01 -0.308189D+01 -0.107907D+02
      2  -0.257896D+01 -0.666287D+01  0.108424D+00 -0.669762D+01 -0.113311D+02
      3   0.439339D+01  0.175239D+01  0.624899D+00  0.564107D+01  0.637726D+01
                91            92            93            94            95 
      1  -0.764694D+00  0.115072D+01 -0.422830D+00  0.112034D+01  0.876757D+00
      2   0.182596D+01  0.443475D+00  0.296159D+01 -0.339686D+00  0.169573D+01
      3  -0.166942D+01 -0.370174D+01 -0.447568D+00 -0.159325D+01 -0.185965D+01
                96            97            98            99           100 
      1  -0.113600D+01 -0.125764D+01  0.213504D+01 -0.148389D+01  0.106446D+01
      2   0.423953D+01  0.107912D+01  0.341404D+01  0.126105D+02 -0.219211D+01
      3  -0.353998D+01  0.746737D-01 -0.316514D+01 -0.467884D+01  0.911552D+00
               101           102           103           104           105 
      1   0.105406D+01  0.115668D+01  0.133758D+00  0.235764D+01  0.244135D+01
      2  -0.303794D-01 -0.242296D+01 -0.336441D+00 -0.275596D+01 -0.519524D+01
      3   0.118014D+01 -0.852434D+00  0.138914D+01  0.603985D+00  0.267424D+01
               106           107           108           109           110 
      1  -0.338353D+00  0.490467D+01  0.107895D+02 -0.204748D+01  0.163338D+01
      2  -0.299038D+01 -0.204294D+01 -0.184802D+02 -0.212976D+00  0.155923D+01
      3  -0.119418D+01  0.335950D+01  0.230666D+01 -0.746672D+01  0.722465D+01
               111           112           113           114           115 
      1   0.165903D+01  0.167279D+01 -0.611684D+01 -0.342318D+01  0.870904D+00
      2  -0.105791D+01  0.144148D+01 -0.270725D+01  0.177373D+01 -0.165008D+01
      3   0.460178D-01  0.953779D+01 -0.229808D+02  0.131954D+01  0.129658D+01
               116           117           118           119           120 
      1  -0.260277D+00  0.478465D+00 -0.685150D+00 -0.754943D+00 -0.202892D+01
      2   0.142097D+01 -0.107762D+01  0.784165D+01  0.911293D+00  0.661490D+01
      3  -0.570725D+00 -0.255773D+01  0.107137D+02 -0.435956D+01  0.635462D+00
               121           122           123           124           125 
      1  -0.665468D+00 -0.895481D+00 -0.400450D+00 -0.145895D+01  0.677540D+00
      2   0.141226D+01  0.767727D+00 -0.267645D+00  0.220815D+01 -0.196019D+00
      3  -0.298995D+00 -0.225330D+01 -0.255193D+00  0.425192D+00 -0.121147D+01
               126           127           128           129           130 
      1   0.960083D-01  0.100958D+01 -0.409046D+00  0.149300D+01  0.755425D-02
      2   0.292524D+00  0.147933D+01 -0.196471D+00 -0.279981D-01 -0.513190D+00
      3   0.153545D+01 -0.102025D+02  0.465512D+01 -0.415196D+00  0.795433D+01
               131           132           133           134           135 
      1  -0.297340D-01 -0.337019D+01 -0.322741D+00  0.167535D+01  0.266065D+00
      2   0.846949D+00 -0.840962D+00 -0.156281D+01  0.411529D+00 -0.892609D-01
      3  -0.668773D+01 -0.709783D+00 -0.575974D+00  0.598012D-01 -0.111503D+00
               136           137           138           139           140 
      1  -0.240180D+00 -0.307415D-01 -0.196700D+01 -0.215766D+00  0.355788D+00
      2   0.549805D+00  0.822190D+00  0.210012D+01  0.771338D+00  0.267983D+01
      3  -0.102525D+01 -0.328790D+01 -0.497084D+00 -0.207101D+01 -0.132224D+02
               141           142           143           144           145 
      1  -0.406334D+01  0.571268D+00  0.208904D+01 -0.478982D+00 -0.122376D+00
      2   0.341516D+01 -0.645200D+00 -0.171221D+00  0.583037D+00  0.188099D+01
      3  -0.224957D+01 -0.517176D+00 -0.262984D+01 -0.366717D+00  0.238900D+00
               146           147           148           149           150 
      1   0.416168D+00 -0.196836D+00  0.213622D+00 -0.195049D-01 -0.322326D+00
      2  -0.794240D-01  0.629565D+01  0.135071D+01  0.355768D+00  0.386653D+00
      3  -0.529535D+01  0.176885D+00 -0.394922D+01 -0.233782D+00 -0.418514D+00
               151           152           153           154           155 
      1   0.119297D+00  0.597434D+00  0.401940D-01  0.307080D+00 -0.694535D+00
      2  -0.301314D+01  0.419566D-01  0.414285D+00  0.300567D+00 -0.383686D+00
      3  -0.129158D+01 -0.573634D+00 -0.252703D+00  0.141946D+01 -0.471034D+01
               156           157           158           159           160 
      1   0.209120D+01  0.241031D+00  0.157612D+00 -0.364369D+01 -0.860189D+00
      2   0.232550D+01  0.505696D+00 -0.108421D+01 -0.317515D+01 -0.797164D+00
      3  -0.625355D-01 -0.315974D+01  0.122367D+02  0.113585D+01 -0.804182D+00
               161           162           163           164           165 
      1   0.168091D+01 -0.328369D+00  0.721532D+00  0.394756D+00 -0.162316D+01
      2   0.482906D+00 -0.395232D+00 -0.160346D+01 -0.101968D+01  0.195967D+00
      3   0.218988D+01  0.357135D+00  0.805981D+01  0.471853D+01  0.857251D+00
               166           167           168           169           170 
      1   0.526257D+00  0.954267D+00 -0.367850D+01  0.413656D+00  0.245173D+01
      2  -0.164306D+01 -0.160592D+01  0.485086D+00 -0.199432D+01 -0.634554D+00
      3   0.794925D+01  0.817136D+01  0.192760D+01  0.142016D+01  0.246566D+01
               171           172           173           174           175 
      1  -0.372248D+00  0.198962D+01  0.743063D+00  0.161362D+01  0.100026D+01
      2   0.121363D+00 -0.135812D+01  0.152090D+00  0.459359D+01  0.739559D+00
      3   0.383964D+00 -0.128036D+02 -0.319896D+01 -0.250550D+01 -0.279237D-01
               176           177           178           179           180 
      1   0.300649D+00 -0.164201D+00  0.773870D+00  0.609675D+00  0.806015D-01
      2   0.120181D+00 -0.529720D-01  0.608013D+00 -0.982151D+00  0.124008D+01
      3   0.201650D+00 -0.127870D+01 -0.549073D+01 -0.172222D+01  0.163193D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.283356D+01  0.236968D+02  0.513420D+01 -0.249402D+02  0.678866D+01
      2  -0.481280D+01 -0.137756D+02  0.665518D+00  0.256370D+02 -0.122136D+02
      3   0.197924D+01 -0.992117D+01 -0.579971D+01 -0.696819D+00  0.542495D+01
      4   0.200223D+02  0.174371D+01  0.456090D+01  0.634894D+01  0.129594D+02
      5   0.815071D+00  0.418438D+01  0.476855D+01 -0.250795D+01  0.800888D+01
      6   0.257584D+01 -0.236831D+01 -0.731428D+01  0.660908D+01 -0.606299D+01
                 6             7             8             9            10 
      1   0.187883D+01 -0.766106D+01  0.625779D+01  0.520266D+00  0.843323D+01
      2  -0.194596D+01  0.871433D+01 -0.850267D+01 -0.759539D+01 -0.716024D+01
      3   0.671272D-01 -0.105327D+01  0.224488D+01  0.707512D+01 -0.127299D+01
      4   0.866870D+01  0.208914D+01  0.734387D+01 -0.136637D+02 -0.127404D+02
      5  -0.138483D+02  0.186876D+02 -0.142409D+02 -0.743629D+01 -0.444989D+00
      6   0.695895D+01 -0.684102D+01  0.130832D+02 -0.560900D+00 -0.306135D+01
                11            12            13            14            15 
      1  -0.142574D+02 -0.184895D-01  0.310090D+01  0.774121D+01  0.447744D+01
      2   0.105659D+02 -0.179949D+01 -0.988696D+01 -0.108873D+02 -0.622012D+01
      3   0.369156D+01  0.181798D+01  0.678606D+01  0.314611D+01  0.174268D+01
      4  -0.173865D+02 -0.436125D+01  0.114618D+02 -0.127271D+02 -0.153642D+01
      5  -0.420175D+01 -0.480630D+01  0.979329D+00 -0.152197D+01 -0.124641D+01
      6  -0.256209D+01  0.589666D+01 -0.510397D+01 -0.915171D+01  0.412968D+01
                16            17            18            19            20 
      1   0.226878D+01  0.145214D+01 -0.154339D+02 -0.230172D+02 -0.199096D+00
      2  -0.414832D+01 -0.706141D+01  0.196620D+00  0.851790D+01  0.135320D+00
      3   0.187954D+01  0.560927D+01  0.152373D+02  0.144993D+02  0.637759D-01
      4   0.792746D-01 -0.368795D+01 -0.635534D+01  0.119996D+02  0.291310D+01
      5  -0.980912D-01 -0.524593D+01 -0.613442D+01  0.466118D+00  0.668447D+00
      6   0.321142D+01  0.116900D+02  0.434517D+01 -0.688974D+00 -0.119669D+00
                21            22            23            24            25 
      1   0.335156D+00  0.446030D+00 -0.751208D+01  0.149204D+00 -0.813688D+01
      2  -0.686765D+00 -0.172981D+01  0.135742D+02  0.408188D+01  0.196528D+01
      3   0.351609D+00  0.128378D+01 -0.606214D+01 -0.423108D+01  0.617160D+01
      4   0.109434D+01 -0.104025D+02 -0.294434D+01 -0.160800D+01 -0.307257D+01
      5  -0.869793D+00 -0.373723D+01 -0.969569D+00  0.200096D+01  0.360364D+01
      6   0.439517D+00 -0.225936D+01  0.245906D+01 -0.345005D+01 -0.126372D+01
                26            27            28            29            30 
      1  -0.881880D+00 -0.988536D+01  0.556175D+01  0.167261D+02  0.517914D+01
      2   0.167491D+01 -0.326734D+01 -0.595929D+01 -0.113831D+02 -0.130469D+01
      3  -0.793033D+00  0.131527D+02  0.397540D+00 -0.534301D+01 -0.387445D+01
      4  -0.332002D+01  0.245725D+01  0.793827D+01 -0.110245D+02  0.264324D+00
      5   0.198615D+01 -0.555283D-01  0.195200D+01  0.179761D+00 -0.175942D+01
      6   0.575816D+01 -0.278004D+01  0.311333D+01 -0.275897D+01 -0.658552D+01
                31            32            33            34            35 
      1  -0.187455D+01  0.269962D+01  0.236893D+01 -0.517360D+00  0.372999D+01
      2   0.108215D+02 -0.737623D+01 -0.232639D+01  0.284033D+01 -0.547946D+01
      3  -0.894696D+01  0.467660D+01 -0.425422D-01 -0.232297D+01  0.174948D+01
      4   0.461668D+01  0.145112D+02  0.182548D+01  0.651849D+00 -0.166669D+01
      5   0.152863D+01  0.168370D+01  0.534054D+00  0.356775D+01  0.391033D+01
      6   0.510798D+01 -0.336532D+01  0.705356D+01 -0.226595D+01  0.134656D+02
                36            37            38            39            40 
      1  -0.146948D+02  0.430841D+01 -0.220699D+02 -0.253669D+01  0.243987D+02
      2   0.199255D+01 -0.322394D+01  0.137929D+02  0.988326D+00 -0.240093D+02
      3   0.127022D+02 -0.108447D+01  0.827705D+01  0.154837D+01 -0.389384D+00
      4   0.385079D+01 -0.135864D+02 -0.654946D+01 -0.513467D+01  0.746713D+01
      5  -0.166848D+01 -0.423165D+01 -0.493666D+01 -0.179756D+01 -0.141328D+01
      6   0.466315D+00 -0.555655D+01 -0.207737D+01  0.486153D+01 -0.516938D+01
                41            42            43            44            45 
      1   0.105510D+02  0.153847D+01  0.231694D+01 -0.293187D+01 -0.464698D+01
      2  -0.152580D+02 -0.612615D+01 -0.621726D+01 -0.497835D+01 -0.607500D+01
      3   0.470698D+01  0.458767D+01  0.390032D+01  0.791022D+01  0.107220D+02
      4  -0.477019D+01 -0.624454D+01 -0.550745D+01 -0.999174D+01  0.138811D+02
      5  -0.619328D+01  0.143211D+02  0.141116D+02  0.145660D+02  0.762199D+01
      6  -0.948052D+01  0.648149D+01  0.560393D+01  0.139278D+02  0.331229D+01
                46            47            48            49            50 
      1  -0.128711D+02 -0.952765D+00 -0.749356D+01  0.408427D+01 -0.214264D+02
      2   0.665827D+01  0.809597D+00  0.371433D+01 -0.253354D+01  0.196440D+02
      3   0.621284D+01  0.143168D+00  0.377923D+01 -0.155073D+01  0.178240D+01
      4  -0.126530D+01  0.238771D+02  0.337588D-03 -0.218357D+02 -0.677193D+01
      5  -0.900387D+01 -0.134170D+00  0.212641D+02 -0.103226D+02 -0.284025D+01
      6   0.497264D+00  0.610631D+00  0.144222D+01 -0.287982D+01  0.421836D+01
                51            52            53            54            55 
      1  -0.598262D+01 -0.798045D+01 -0.648882D+01  0.124871D+02  0.166900D+02
      2   0.923438D+01  0.254078D+01  0.497146D+01 -0.169993D+02 -0.689204D+01
      3  -0.325176D+01  0.543967D+01  0.151736D+01  0.451220D+01 -0.979797D+01
      4  -0.354047D+01 -0.113707D+02  0.101071D+01 -0.665200D+00 -0.696962D+01
      5  -0.104087D+01  0.353246D+02  0.822214D-01  0.612395D+01 -0.792133D-01
      6  -0.605018D+01  0.186770D+00  0.643334D+01 -0.386570D+01  0.232446D+00
                56            57            58            59            60 
      1   0.505285D+00  0.253260D+00  0.136172D+00 -0.757211D+01  0.146070D+01
      2   0.310185D+01  0.310389D+00  0.590953D+01  0.358023D+01 -0.619557D+00
      3  -0.360713D+01 -0.563649D+00 -0.604570D+01  0.399188D+01 -0.841142D+00
      4  -0.192967D+02  0.528646D+01 -0.293144D+02 -0.324301D+01  0.324729D+01
      5   0.584252D+01 -0.133175D+02  0.939749D+01  0.227901D+01 -0.190846D+02
      6   0.147104D+01 -0.184064D+01  0.355416D+01  0.700994D+01 -0.115462D+02
                61            62            63            64            65 
      1   0.125557D+02  0.679909D+01 -0.562560D-01 -0.386522D+02  0.567412D+01
      2   0.202179D+01  0.161625D+01  0.980644D+01  0.243457D+02 -0.713882D+01
      3  -0.145774D+02 -0.841534D+01 -0.975019D+01  0.143064D+02  0.146470D+01
      4   0.120044D+02  0.126574D+02 -0.231606D+02  0.817299D+01  0.141187D+02
      5  -0.203778D+02 -0.212464D+02 -0.218341D+02 -0.119983D+02 -0.589816D+01
      6  -0.111990D+02 -0.469456D+01 -0.636748D+01  0.215628D+01  0.414659D+01
                66            67            68            69            70 
      1  -0.105251D+02 -0.882573D-01 -0.200613D+01 -0.170630D+01 -0.101631D+02
      2   0.708624D+01 -0.426201D+01  0.159343D+02 -0.284271D+00  0.790012D+01
      3   0.343882D+01  0.435027D+01 -0.139282D+02  0.199057D+01  0.226299D+01
      4  -0.460266D+01  0.201829D+02 -0.188509D+02  0.747010D+01 -0.680525D+01
      5   0.552559D+01 -0.114712D+02  0.690214D+01  0.102065D+02  0.327509D+01
      6  -0.232385D+01  0.338372D+01 -0.860610D+01  0.198031D+01  0.191538D+01
                71            72            73            74            75 
      1   0.669069D+00 -0.112994D+01 -0.578673D+02 -0.178445D+02 -0.212824D+01
      2  -0.119236D+01 -0.720837D+01  0.237769D+02  0.163274D+02  0.434348D+01
      3   0.523287D+00  0.833831D+01  0.340903D+02  0.151714D+01 -0.221524D+01
      4   0.733336D+01  0.776826D+01 -0.210683D+02  0.151597D+02 -0.671379D+01
      5   0.729349D+01  0.229785D+02 -0.262448D+01 -0.387170D+01  0.113405D+02
      6  -0.405855D+00 -0.164496D+02 -0.452780D+01 -0.567447D+01  0.428815D+01
                76            77            78            79            80 
      1  -0.863996D+01  0.209055D+02  0.258094D+01 -0.122589D+02 -0.337501D+00
      2   0.810249D+01 -0.237970D+02  0.641641D+01  0.554470D+01  0.263829D+01
      3   0.537473D+00  0.289149D+01 -0.899735D+01  0.671417D+01 -0.230079D+01
      4   0.193570D+02 -0.516985D+01 -0.522650D+01 -0.161768D+02 -0.120201D+02
      5  -0.930568D+01 -0.807465D+01  0.163695D+02  0.146977D+02  0.175124D+02
      6  -0.638560D+01 -0.402106D+01  0.877326D+01  0.788658D+01  0.884603D+01
                81            82            83            84            85 
      1   0.129959D+02  0.148306D+01 -0.321300D+01 -0.197192D+01 -0.514402D+01
      2   0.910893D+01 -0.507286D+00  0.103835D+01  0.188204D+00  0.153624D+01
      3  -0.221048D+02 -0.975779D+00  0.217465D+01  0.178372D+01  0.360777D+01
      4   0.212940D+02 -0.355177D+01  0.759004D+00  0.294180D+01  0.591456D+01
      5   0.167455D+02 -0.256183D+01  0.225251D+01 -0.118373D-01  0.438732D+01
      6   0.102853D+01  0.174721D+01 -0.128760D+01  0.545050D+00 -0.246541D+01
                86            87            88            89            90 
      1  -0.330294D+01  0.264731D+00 -0.677247D+01 -0.100378D+01 -0.579218D+01
      2   0.440685D+01  0.201593D+01  0.284577D+01  0.273419D+01  0.239315D+01
      3  -0.110391D+01 -0.228066D+01  0.392670D+01 -0.173041D+01  0.339903D+01
      4  -0.101711D+02 -0.592126D+01  0.849123D+01 -0.115911D+02 -0.124112D+02
      5  -0.512917D+01 -0.129974D+02  0.676897D+01 -0.126883D+02 -0.233993D+02
      6   0.453680D+01  0.108252D+02 -0.345122D+01  0.105007D+02  0.158639D+02
                91            92            93            94            95 
      1   0.455736D+01  0.119641D+01  0.417584D+01  0.887932D+00 -0.270563D+01
      2  -0.646658D+01 -0.129452D+01 -0.460185D+01 -0.242080D+01 -0.449100D+00
      3   0.190923D+01  0.981173D-01  0.426010D+00  0.153287D+01  0.315473D+01
      4   0.453597D+01  0.708916D+01  0.263056D+01  0.982442D+01  0.656592D+01
      5   0.976512D+01  0.266650D+01  0.131969D+02  0.375337D+01  0.659906D+01
      6   0.324653D+01  0.166390D+00  0.205258D+01  0.221328D+01  0.464302D+01
                96            97            98            99           100 
      1  -0.286296D+01  0.242236D+01 -0.344380D+01 -0.108551D+02  0.376418D+01
      2  -0.812329D+00 -0.857691D+01 -0.259350D+01 -0.151369D+02 -0.434963D+01
      3   0.367529D+01  0.615455D+01  0.603730D+01  0.259920D+02  0.585454D+00
      4   0.702014D+01  0.324130D+01  0.689777D+01  0.986279D+01  0.106021D+01
      5   0.102289D+02  0.188374D+02  0.934054D+01  0.328726D+02 -0.302983D+01
      6   0.101090D+02  0.507106D+01  0.701649D+01  0.122204D+02 -0.749534D-01
               101           102           103           104           105 
      1   0.144785D+01 -0.660366D+01 -0.187144D+01 -0.460432D+01 -0.217905D+01
      2  -0.179507D+01  0.739372D+00  0.152565D+01  0.868917D+00 -0.582838D+01
      3   0.347219D+00  0.586428D+01  0.345792D+00  0.373540D+01  0.800744D+01
      4  -0.178443D+01 -0.728593D+00 -0.586456D+00 -0.290392D+01 -0.493326D+01
      5   0.790370D+00  0.590782D+00  0.382012D+01 -0.365378D+01 -0.957896D+01
      6   0.163987D+01 -0.134347D+01  0.165798D+00  0.181592D+01  0.301735D+01
               106           107           108           109           110 
      1  -0.563884D+01 -0.374508D+00 -0.175435D+02 -0.271499D+01  0.981464D+01
      2   0.395222D+01 -0.409167D+01 -0.178939D+02  0.550545D+01 -0.107911D+02
      3   0.168662D+01  0.446618D+01  0.354374D+02 -0.279046D+01  0.976460D+00
      4  -0.229766D+01 -0.657910D+01 -0.510590D+01  0.119798D+01 -0.321043D+01
      5   0.770065D+01 -0.252846D+01 -0.313605D+02  0.215286D+01 -0.158827D+00
      6   0.763062D+00  0.388982D+01 -0.967010D+01 -0.273250D-01  0.258160D+01
               111           112           113           114           115 
      1  -0.596061D+00  0.978414D+01 -0.275941D+02  0.242234D+01  0.177410D+01
      2  -0.334736D+00 -0.774663D+01  0.415199D+02 -0.147577D+01 -0.121609D+01
      3   0.930797D+00 -0.203751D+01 -0.139257D+02 -0.946566D+00 -0.558014D+00
      4   0.154625D+01  0.368433D+01  0.308894D+02 -0.283060D+01  0.226997D+01
      5  -0.223763D+01 -0.275150D+01 -0.503699D+00  0.380622D+01 -0.255566D+00
      6  -0.274956D+01  0.823556D+00 -0.886306D+01  0.658361D+01 -0.182306D+01
               116           117           118           119           120 
      1   0.122991D+01 -0.597872D+01  0.832224D+02  0.120230D+02  0.247787D+01
      2   0.379497D+00  0.323986D+01 -0.389049D+02 -0.284524D+01  0.252261D+00
      3  -0.160940D+01  0.273887D+01 -0.443174D+02 -0.917772D+01 -0.273013D+01
      4   0.137111D+01  0.141289D+01  0.356128D+02  0.170031D+02 -0.438941D-01
      5   0.217333D+01 -0.121085D+01 -0.962117D+01 -0.206979D+01  0.107314D+02
      6   0.663129D+01 -0.119286D+01 -0.470935D+00 -0.156581D+01  0.383465D+01
               121           122           123           124           125 
      1   0.322572D+01  0.569341D+01  0.162444D+00  0.970825D+01  0.865857D+00
      2   0.144181D+01  0.681699D+00 -0.477246D+00 -0.383030D+01  0.300556D+00
      3  -0.466753D+01 -0.637510D+01  0.314802D+00 -0.587795D+01 -0.116641D+01
      4   0.137601D+02  0.838610D+01  0.670001D+00  0.463032D+01  0.383048D+01
      5   0.263753D+00 -0.949710D-01 -0.574154D+00  0.104256D+02  0.713077D+00
      6  -0.940967D+00 -0.508526D+00  0.834375D+00  0.339888D+01  0.995942D+00
               126           127           128           129           130 
      1   0.610795D+01 -0.378611D+01  0.661214D+01  0.935690D+00  0.812503D+01
      2  -0.544748D+01  0.617833D+01 -0.946663D+01 -0.750327D+00 -0.112095D+02
      3  -0.660473D+00 -0.239222D+01  0.285449D+01 -0.185364D+00  0.308445D+01
      4   0.171358D+01 -0.789615D+01  0.653163D+01  0.687034D+00  0.695531D+01
      5   0.114907D+00 -0.753962D-01  0.951039D+00  0.606739D+00  0.839134D+00
      6   0.536414D+00 -0.577230D+00 -0.337649D+00 -0.162681D+01 -0.806750D+00
               131           132           133           134           135 
      1  -0.240767D+02 -0.234318D+01  0.450854D+00 -0.176667D+01 -0.786472D+00
      2   0.327922D+02  0.194783D+01 -0.924975D+00  0.242235D+01  0.160227D+01
      3  -0.871549D+01  0.395346D+00  0.474121D+00 -0.655681D+00 -0.815797D+00
      4  -0.623176D+01 -0.268147D+00  0.962095D-01 -0.182581D+00 -0.156619D+01
      5  -0.822356D+00 -0.110497D+01  0.778781D+00 -0.873145D+00 -0.189250D+00
      6   0.278589D+01  0.522309D+01 -0.906048D+00  0.200427D+01  0.176699D+00
               136           137           138           139           140 
      1   0.869074D+01  0.674803D+01  0.123151D+01  0.976805D+00 -0.102319D+02
      2   0.219884D+01  0.455016D+01  0.159172D+00  0.109353D+02  0.317529D+02
      3  -0.108896D+02 -0.112982D+02 -0.139068D+01 -0.119121D+02 -0.215210D+02
      4   0.231810D+02  0.264136D+02  0.538072D+01  0.280625D+02  0.480552D+02
      5   0.493521D+01  0.511977D+01  0.515042D+01  0.531032D+01  0.819565D+01
      6   0.365789D+01  0.416956D+01  0.322807D+01  0.519965D+01  0.106560D+02
               141           142           143           144           145 
      1  -0.206269D+01  0.102310D+01 -0.126115D+01 -0.958247D+00  0.102345D+03
      2   0.393187D+01  0.154978D+01  0.518365D+01  0.222904D+01 -0.586836D+02
      3  -0.186917D+01 -0.257288D+01 -0.392250D+01 -0.127079D+01 -0.436615D+02
      4   0.882804D+01  0.712138D+01  0.107925D+02  0.378592D+01  0.413583D+01
      5   0.597777D+01  0.241342D+01  0.298686D+01  0.225381D+01  0.121644D+02
      6   0.801102D+01  0.236117D+01  0.407116D+01  0.287704D+01 -0.191322D+01
               146           147           148           149           150 
      1   0.292896D+01  0.821187D+01  0.196354D+01  0.933419D+01  0.133744D+01
      2  -0.145532D+01 -0.562044D+01 -0.924021D+00 -0.457750D+01 -0.114719D+01
      3  -0.147364D+01 -0.259143D+01 -0.103952D+01 -0.475669D+01 -0.190252D+00
      4   0.848566D+01  0.145244D+00  0.148591D+02  0.115878D+01  0.138564D+01
      5   0.165104D+00  0.107461D+02  0.275542D+01  0.141861D+01  0.599345D+00
      6   0.553473D+00 -0.238661D-01  0.102356D+01 -0.722190D-01  0.146492D+01
               151           152           153           154           155 
      1   0.102026D+02  0.155494D+01  0.367070D+01  0.158226D+02 -0.105088D+02
      2  -0.595125D+01 -0.923477D+00 -0.216893D+01 -0.464279D+00 -0.348310D+01
      3  -0.425136D+01 -0.631464D+00 -0.150176D+01 -0.153584D+02  0.139919D+02
      4   0.291081D+01  0.111670D+01  0.512288D+00 -0.293684D+02  0.300576D+02
      5   0.286546D+01  0.284442D+00  0.185028D+01 -0.374636D+01  0.282671D+01
      6   0.979848D-02  0.490908D+00  0.291989D+00  0.131566D+01 -0.106126D+01
               156           157           158           159           160 
      1  -0.142213D+01 -0.577133D+01 -0.153228D+01 -0.592096D-01  0.410827D+00
      2   0.356648D+00 -0.908240D+01  0.235168D+02  0.124423D+01 -0.163788D+01
      3   0.106548D+01  0.148537D+02 -0.219845D+02 -0.118502D+01  0.122705D+01
      4   0.258138D+01  0.329849D+02 -0.477692D+02 -0.566417D+01  0.365732D+01
      5   0.497997D+01  0.485953D+01 -0.643512D+01 -0.549443D+01  0.206271D+01
      6  -0.286913D+01 -0.313682D+01  0.498101D+01  0.611730D+01 -0.160445D+01
               161           162           163           164           165 
      1  -0.113682D+01 -0.386982D+00 -0.523951D+01 -0.762050D+01 -0.280301D+01
      2   0.328610D+01  0.155142D+01  0.646222D+01  0.887194D+01  0.175100D+01
      3  -0.214928D+01 -0.116444D+01 -0.122272D+01 -0.125144D+01  0.105201D+01
      4  -0.585939D+01 -0.299454D+01  0.521492D+01  0.696639D+01  0.126807D+01
      5  -0.198068D+01 -0.950822D+00  0.424613D+00  0.853220D+00  0.153996D+01
      6   0.249446D+01  0.142932D+01  0.267861D+01  0.401487D+01  0.277738D+01
               166           167           168           169           170 
      1  -0.815916D+01 -0.284698D+02 -0.730459D+01 -0.237863D+01 -0.659029D+01
      2   0.101703D+02  0.362623D+02  0.647918D+01  0.249460D+01  0.753473D+01
      3  -0.201117D+01 -0.779251D+01  0.825406D+00 -0.115972D+00 -0.944442D+00
      4   0.581980D+01  0.198924D+01  0.616515D-01  0.155854D+01  0.781534D+00
      5   0.561711D+00 -0.677288D+00  0.432573D+00  0.110451D+01  0.709786D+00
      6   0.338312D+01  0.115910D+02  0.796612D+01  0.145536D+01  0.462952D+01
               171           172           173           174           175 
      1  -0.296581D+01  0.678725D+02 -0.954280D+01  0.113484D+02 -0.122259D+01
      2   0.312360D+01 -0.369374D+02  0.365297D+01 -0.704869D+01 -0.111036D+01
      3  -0.157785D+00 -0.309351D+02  0.588984D+01 -0.429970D+01  0.233295D+01
      4   0.206168D+01 -0.257521D+02  0.106454D+02 -0.272856D+01  0.691713D+01
      5   0.111877D+01  0.171298D+02 -0.115529D+01  0.102182D+02  0.305335D+01
      6   0.316964D+01 -0.432271D+01  0.459170D+00 -0.268869D+01  0.722370D-01
               176           177           178           179           180 
      1   0.231309D+01  0.314316D+01  0.167822D+02  0.942336D+00  0.475955D+01
      2   0.400523D-01 -0.265639D+01 -0.114588D+02 -0.635083D+00 -0.402406D+01
      3  -0.235314D+01 -0.486769D+00 -0.532339D+01 -0.307252D+00 -0.735488D+00
      4  -0.208843D+01  0.984390D+00 -0.357142D+01  0.176325D+01 -0.267794D+01
      5   0.182907D+01  0.493225D+00  0.105835D+02 -0.188141D+01  0.494713D+01
      6  -0.491598D+00  0.137635D+01 -0.163552D+01  0.168349D+01 -0.756991D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:09:12 2021, MaxMem=  5368709120 cpu:           25782.9 elap:            3225.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.60407 -10.47263 -10.44554 -10.43932 -10.43781
 Alpha  occ. eigenvalues --  -10.43767 -10.43668 -10.43333 -10.42968  -1.04034
 Alpha  occ. eigenvalues --   -0.99469  -0.90271  -0.88104  -0.85481  -0.76275
 Alpha  occ. eigenvalues --   -0.72960  -0.69875  -0.64633  -0.61081  -0.57647
 Alpha  occ. eigenvalues --   -0.56213  -0.54287  -0.53253  -0.52601  -0.52032
 Alpha  occ. eigenvalues --   -0.49280  -0.48144  -0.46299  -0.43657  -0.42963
 Alpha  occ. eigenvalues --   -0.35816  -0.34742  -0.33707
 Alpha virt. eigenvalues --   -0.01233  -0.00487  -0.00243   0.00530   0.01199
 Alpha virt. eigenvalues --    0.01276   0.02455   0.03214   0.03408   0.03821
 Alpha virt. eigenvalues --    0.05151   0.05838   0.06323   0.06468   0.07511
 Alpha virt. eigenvalues --    0.08595   0.09176   0.09452   0.10140   0.10352
 Alpha virt. eigenvalues --    0.11103   0.11581   0.11814   0.12270   0.12648
 Alpha virt. eigenvalues --    0.12880   0.13079   0.13626   0.13918   0.14468
 Alpha virt. eigenvalues --    0.14640   0.15071   0.15400   0.16537   0.16928
 Alpha virt. eigenvalues --    0.17408   0.17917   0.19502   0.19749   0.20818
 Alpha virt. eigenvalues --    0.21120   0.21834   0.23686   0.25106   0.25560
 Alpha virt. eigenvalues --    0.25943   0.26516   0.27473   0.28007   0.28327
 Alpha virt. eigenvalues --    0.28625   0.29505   0.30349   0.30793   0.30918
 Alpha virt. eigenvalues --    0.31560   0.31967   0.32205   0.32718   0.34162
 Alpha virt. eigenvalues --    0.35613   0.36115   0.36665   0.36978   0.38115
 Alpha virt. eigenvalues --    0.38513   0.39310   0.39800   0.40402   0.40710
 Alpha virt. eigenvalues --    0.42307   0.43105   0.43589   0.44311   0.44704
 Alpha virt. eigenvalues --    0.46011   0.46346   0.47378   0.48102   0.48288
 Alpha virt. eigenvalues --    0.49827   0.50130   0.50693   0.51304   0.52171
 Alpha virt. eigenvalues --    0.52565   0.53089   0.53558   0.53892   0.55300
 Alpha virt. eigenvalues --    0.55666   0.56774   0.57888   0.58164   0.58179
 Alpha virt. eigenvalues --    0.59371   0.59741   0.60744   0.61169   0.61571
 Alpha virt. eigenvalues --    0.61808   0.62042   0.62756   0.63431   0.64225
 Alpha virt. eigenvalues --    0.64786   0.65750   0.66150   0.67360   0.67669
 Alpha virt. eigenvalues --    0.68582   0.69036   0.70141   0.70480   0.71603
 Alpha virt. eigenvalues --    0.72493   0.72628   0.73208   0.74010   0.75519
 Alpha virt. eigenvalues --    0.76518   0.76610   0.77670   0.78611   0.79985
 Alpha virt. eigenvalues --    0.81145   0.82593   0.82872   0.83428   0.83767
 Alpha virt. eigenvalues --    0.83845   0.85200   0.85468   0.86478   0.87314
 Alpha virt. eigenvalues --    0.87857   0.89009   0.90298   0.91271   0.91845
 Alpha virt. eigenvalues --    0.93308   0.95231   0.96312   0.98080   0.99156
 Alpha virt. eigenvalues --    1.01068   1.01797   1.03211   1.03748   1.04131
 Alpha virt. eigenvalues --    1.06291   1.06951   1.08141   1.11354   1.12639
 Alpha virt. eigenvalues --    1.15002   1.15403   1.16031   1.19826   1.22170
 Alpha virt. eigenvalues --    1.23737   1.30422   1.31208   1.36412   1.36824
 Alpha virt. eigenvalues --    1.37971   1.38380   1.40240   1.42865   1.44007
 Alpha virt. eigenvalues --    1.45395   1.46555   1.47090   1.48280   1.49366
 Alpha virt. eigenvalues --    1.49749   1.51911   1.53187   1.55070   1.56980
 Alpha virt. eigenvalues --    1.57836   1.58790   1.59835   1.61106   1.61373
 Alpha virt. eigenvalues --    1.62026   1.63618   1.65376   1.68001   1.70299
 Alpha virt. eigenvalues --    1.70574   1.72209   1.74455   1.75535   1.76752
 Alpha virt. eigenvalues --    1.78125   1.79368   1.80347   1.80774   1.81835
 Alpha virt. eigenvalues --    1.82411   1.83735   1.85684   1.86422   1.88792
 Alpha virt. eigenvalues --    1.90603   1.91703   1.93092   1.94277   1.95496
 Alpha virt. eigenvalues --    1.96014   1.96911   1.99037   2.00465   2.02272
 Alpha virt. eigenvalues --    2.04132   2.05682   2.06136   2.07198   2.08813
 Alpha virt. eigenvalues --    2.10420   2.11782   2.13277   2.15065   2.15836
 Alpha virt. eigenvalues --    2.16801   2.19053   2.19793   2.20547   2.21763
 Alpha virt. eigenvalues --    2.22612   2.25013   2.26940   2.30914   2.31983
 Alpha virt. eigenvalues --    2.32659   2.37025   2.37162   2.39164   2.43542
 Alpha virt. eigenvalues --    2.44074   2.46447   2.48323   2.50557   2.54448
 Alpha virt. eigenvalues --    2.55770   2.57782   2.58910   2.59975   2.61941
 Alpha virt. eigenvalues --    2.63952   2.69194   2.71109   2.72369   2.73789
 Alpha virt. eigenvalues --    2.79907   2.82453   2.84578   2.87581   2.92251
 Alpha virt. eigenvalues --    2.94659   2.97382   3.03121   3.07958   3.11784
 Alpha virt. eigenvalues --    3.13694   3.18899   3.23882   3.39497   3.49572
 Alpha virt. eigenvalues --    3.59095   3.61519   4.52631
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   19.027787  -9.282447   5.337085  -8.252150   7.564924  -8.256293
     2  C   -9.282447  32.413520 -14.618579   4.130821  -8.243345   6.680211
     3  C    5.337085 -14.618579  25.925373 -11.809160   5.714320  -7.180435
     4  C   -8.252150   4.130821 -11.809160  29.493340 -11.804745   7.015501
     5  C    7.564924  -8.243345   5.714320 -11.804745  21.381875  -8.282695
     6  C   -8.256293   6.680211  -7.180435   7.015501  -8.282695  16.242051
     7  C    0.079389  -3.910623  -0.146514  -2.563017   0.346279  -0.333021
     8  N   -0.126208   0.173729  -0.399167   0.437334  -0.275420   0.081549
     9  C    0.180430  -0.485644   0.031558  -0.230807   0.125177  -0.096379
    10  H    0.001288  -0.055761   0.056746   0.082003   0.101088  -0.002168
    11  H    0.008673  -0.009586   0.331998   0.027615   0.031612  -0.001678
    12  H   -0.039024   0.011178  -0.101384   0.136181   0.006212   0.010214
    13  H   -0.006808  -0.246505  -0.146372  -0.030852   0.040748  -0.031579
    14  H    0.051717   0.091551   0.229269  -0.156808  -0.021924  -0.000088
    15  H    0.098684  -0.104558   1.057230  -2.574250   0.734096  -0.184017
    16  H   -0.301827   0.089014  -0.154424   1.368363  -1.876853   0.591355
    17  H    0.756531  -0.107988   0.057484  -0.140591   0.738841  -1.519936
    18  H   -1.632078   1.112085  -0.342128   0.104745  -0.239879   0.727758
    19  H    0.651240  -2.278103   1.059114  -0.003954  -0.001092  -0.121895
    20  H    0.008187  -0.012002   0.149893  -0.106130   0.000655  -0.006570
               7          8          9         10         11         12
     1  C    0.079389  -0.126208   0.180430   0.001288   0.008673  -0.039024
     2  C   -3.910623   0.173729  -0.485644  -0.055761  -0.009586   0.011178
     3  C   -0.146514  -0.399167   0.031558   0.056746   0.331998  -0.101384
     4  C   -2.563017   0.437334  -0.230807   0.082003   0.027615   0.136181
     5  C    0.346279  -0.275420   0.125177   0.101088   0.031612   0.006212
     6  C   -0.333021   0.081549  -0.096379  -0.002168  -0.001678   0.010214
     7  C   12.764717   0.407295   0.459026  -0.235721  -0.969536  -0.281151
     8  N    0.407295   6.037899  -0.101671   0.341990   0.062868   0.010706
     9  C    0.459026  -0.101671   4.582529  -0.081451  -0.019478   0.390051
    10  H   -0.235721   0.341990  -0.081451   0.954328   0.042267  -0.018056
    11  H   -0.969536   0.062868  -0.019478   0.042267   1.793762   0.080037
    12  H   -0.281151   0.010706   0.390051  -0.018056   0.080037   1.600783
    13  H    0.509760  -0.041725   0.180832   0.005585  -0.064905  -0.231750
    14  H    0.005967  -0.015202   0.115003  -0.008180  -0.033912  -0.397545
    15  H    0.325197  -0.163304   0.031365  -0.033285   0.017643   0.001329
    16  H    0.016511  -0.004150   0.004455   0.001677  -0.000517  -0.000406
    17  H   -0.022737   0.003128  -0.002234   0.000131   0.000886   0.000420
    18  H    0.036895  -0.003603  -0.001000   0.000249   0.001084   0.000694
    19  H   -0.117732  -0.001103   0.092723   0.001139   0.011922  -0.001312
    20  H   -0.044212   0.235853  -0.018806  -0.141031  -0.044290  -0.001161
              13         14         15         16         17         18
     1  C   -0.006808   0.051717   0.098684  -0.301827   0.756531  -1.632078
     2  C   -0.246505   0.091551  -0.104558   0.089014  -0.107988   1.112085
     3  C   -0.146372   0.229269   1.057230  -0.154424   0.057484  -0.342128
     4  C   -0.030852  -0.156808  -2.574250   1.368363  -0.140591   0.104745
     5  C    0.040748  -0.021924   0.734096  -1.876853   0.738841  -0.239879
     6  C   -0.031579  -0.000088  -0.184017   0.591355  -1.519936   0.727758
     7  C    0.509760   0.005967   0.325197   0.016511  -0.022737   0.036895
     8  N   -0.041725  -0.015202  -0.163304  -0.004150   0.003128  -0.003603
     9  C    0.180832   0.115003   0.031365   0.004455  -0.002234  -0.001000
    10  H    0.005585  -0.008180  -0.033285   0.001677   0.000131   0.000249
    11  H   -0.064905  -0.033912   0.017643  -0.000517   0.000886   0.001084
    12  H   -0.231750  -0.397545   0.001329  -0.000406   0.000420   0.000694
    13  H    1.668272  -0.324563   0.001560   0.000112  -0.000300  -0.000750
    14  H   -0.324563   1.633681   0.003786   0.000374  -0.000089   0.000218
    15  H    0.001560   0.003786   2.726398  -0.101411  -0.026300   0.015863
    16  H    0.000112   0.000374  -0.101411   1.977175  -0.069607  -0.030447
    17  H   -0.000300  -0.000089  -0.026300  -0.069607   1.924867  -0.073603
    18  H   -0.000750   0.000218   0.015863  -0.030447  -0.073603   1.994723
    19  H   -0.065457   0.013369  -0.041014   0.013241  -0.024834  -0.154362
    20  H    0.000639   0.000704   0.006293   0.001173  -0.000139   0.000335
              19         20
     1  C    0.651240   0.008187
     2  C   -2.278103  -0.012002
     3  C    1.059114   0.149893
     4  C   -0.003954  -0.106130
     5  C   -0.001092   0.000655
     6  C   -0.121895  -0.006570
     7  C   -0.117732  -0.044212
     8  N   -0.001103   0.235853
     9  C    0.092723  -0.018806
    10  H    0.001139  -0.141031
    11  H    0.011922  -0.044290
    12  H   -0.001312  -0.001161
    13  H   -0.065457   0.000639
    14  H    0.013369   0.000704
    15  H   -0.041014   0.006293
    16  H    0.013241   0.001173
    17  H   -0.024834  -0.000139
    18  H   -0.154362   0.000335
    19  H    2.821933  -0.003545
    20  H   -0.003545   1.033023
 Mulliken charges:
               1
     1  C    0.130899
     2  C    0.653032
     3  C    0.948092
     4  C    0.876563
     5  C   -0.039872
     6  C    0.668116
     7  C   -0.326772
     8  N    0.339204
     9  C    0.844322
    10  H   -0.012837
    11  H   -0.266465
    12  H   -0.176016
    13  H   -0.215944
    14  H   -0.187330
    15  H   -0.791305
    16  H   -0.523810
    17  H   -0.493932
    18  H   -0.516797
    19  H   -0.850277
    20  H   -0.058869
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.385897
     2  C   -0.197245
     3  C    0.948092
     4  C    0.085258
     5  C   -0.563683
     6  C    0.174183
     7  C   -0.593237
     8  N    0.267497
     9  C    0.265032
 Electronic spatial extent (au):  <R**2>=           1297.0746
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1162    Y=             -0.8065    Z=              0.6850  Tot=              1.5380
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -46.9451   YY=            -53.1936   ZZ=            -58.5121
   XY=              0.4702   XZ=             -0.1864   YZ=              3.7183
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.9385   YY=             -0.3100   ZZ=             -5.6285
   XY=              0.4702   XZ=             -0.1864   YZ=              3.7183
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.0936  YYY=             -1.8384  ZZZ=              0.0984  XYY=              4.6780
  XXY=              3.4536  XXZ=              0.7701  XZZ=             -8.9305  YZZ=             -0.0718
  YYZ=              3.9731  XYZ=             -2.6744
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1087.1109 YYYY=           -428.2349 ZZZZ=           -126.1426 XXXY=            -26.6998
 XXXZ=             23.2668 YYYX=             -0.0684 YYYZ=             17.8611 ZZZX=              0.5005
 ZZZY=              2.5709 XXYY=           -266.3979 XXZZ=           -235.8848 YYZZ=           -102.2354
 XXYZ=             12.1785 YYXZ=             -6.8563 ZZXY=             -0.9896
 N-N= 4.253718298430D+02 E-N=-1.699612901889D+03  KE= 3.636578610819D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:09:12 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.48079380D-01-2.69225474D-01 2.51130787D-01
 Polarizability= 1.26729849D+02 9.03546457D-01 1.04139862D+02
                 2.81517985D+00 4.83740742D+00 6.70563751D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1951   -1.1940        0.4409    0.4367
 2      1.1951    1.1940       -2.0356   -2.0370      -11.8059  -11.7829
 3     -0.4409   -0.4367       30.1163   30.1091        2.0409    2.0370
 4      2.0356    2.0370        0.0000    0.0000       -0.4425   -0.4367
 5    -18.3104  -18.3262        0.4425    0.4367       -1.1928   -1.1940
 6     -2.0409   -2.0370        1.1928    1.1940       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.5821    3.5821        1.3101    1.3101
 2      6.1110    6.1110        0.0000    0.0000        1.3101    1.3101
 3      6.1110    6.1110        3.5821    3.5821       -0.0000    0.0000
 4      3.5821    3.5821       -6.1110   -6.1110      -35.3486  -35.3486
 5     -1.3101   -1.3101       90.3273   90.3273        6.1110    6.1110
 6    -54.9787  -54.9787        1.3101    1.3101       -3.5821   -3.5821
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1897    0.0000        5.0973    4.7761       -1.5315   -1.7468
 2     -4.8319   -4.7761        7.7648    8.1479       46.3381   47.1314
 3      1.5536    1.7468     -120.1364 -120.4364       -7.9658   -8.1479
 4     -7.5647   -8.1479        0.0151    0.0000        1.6110    1.7468
 5     73.4338   73.3050       -1.1843   -1.7468        4.0109    4.7761
 6      8.1129    8.1479       -4.9432   -4.7761       -0.0505    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1022    0.0000        2.8811    2.5931      -11.5275  -11.2239
 2     -2.7274   -2.5931      -37.7906  -37.9803      -25.0178  -24.3173
 3     11.8035   11.2239      -21.8101  -21.7481       37.6508   37.9803
 4     38.0640   37.9803        0.3157    0.0000        9.5302   11.2239
 5     45.6207   46.0654      -12.7526  -11.2239        2.1137    2.5931
 6    -38.4036  -37.9803       -3.1157   -2.5931        0.4562    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     10.5310   10.3856        6.5467    6.9590       14.0569   13.8907
 2     71.9559   71.5254        1.2800    0.8337       12.5530   13.8907
 3     72.0705   71.5254        7.2410    6.9590       18.8545   19.7784
 4      6.0511    6.1252      -61.0936  -61.1398      -32.1152  -32.1367
 5      6.5767    5.8877      -42.5538  -42.4825       60.8308   61.1398
 6     73.5820   74.6192       -8.3141   -5.8877       -6.9717   -6.1252
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.9637   -3.5027   -0.0008   -0.0008   -0.0007    5.4256
 Low frequencies ---   38.3573  140.8983  226.9340
 Diagonal vibrational polarizability:
       16.3409826       6.7537814      20.4588085
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.3382               140.8978               226.9339
 Red. masses --      3.1692                 3.0957                 2.1737
 Frc consts  --      0.0027                 0.0362                 0.0660
 IR Inten    --      0.1854                 3.1281                 2.8062
 RamAct Fr= 1--      2.2547                 3.8039                 0.1788
  Dep-P Fr= 1--      0.7499                 0.7262                 0.6417
  Dep-U Fr= 1--      0.8571                 0.8414                 0.7818
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0003
 Beta2  Fr= 1--      0.3221                 0.5334                 0.0233
 AlphaG Fr= 1--      0.0002                 0.0000                -0.0010
 Gamma2 Fr= 1--     -1.3548                -0.8028                 0.0928
 Delta2 Fr= 1--     -1.0468                -0.3729                 0.1022
 Raman1 Fr= 1--       9.019                 15.215                  0.715
 ROA1   Fr= 1--    -163.557                -89.002                 12.185
 CID1   Fr= 1--     -18.135                 -5.849                 17.034
 Raman2 Fr= 1--       3.865                  6.401                  0.280
 ROA2   Fr= 1--     -24.141                -16.284                  1.410
 CID2   Fr= 1--      -6.246                 -2.544                  5.044
 Raman3 Fr= 1--       7.730                 12.802                  0.559
 ROA3   Fr= 1--    -163.557                -89.002                 12.185
 CID3   Fr= 1--     -21.160                 -6.952                 21.789
 RC180  Fr= 1--       0.714                  0.683                  0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.14    -0.05  -0.03   0.07     0.06   0.04  -0.01
     2   6    -0.01  -0.02   0.15    -0.02   0.02  -0.14     0.06  -0.07  -0.03
     3   6     0.00   0.01   0.01    -0.01   0.04  -0.19    -0.01  -0.11  -0.04
     4   6     0.02   0.03  -0.13    -0.00   0.03  -0.17    -0.08  -0.08  -0.02
     5   6     0.03   0.03  -0.15    -0.03  -0.02   0.03    -0.10   0.03   0.02
     6   6     0.01   0.01  -0.01    -0.05  -0.05   0.19    -0.02   0.08   0.01
     7   6    -0.00   0.04  -0.01    -0.02   0.02  -0.04    -0.01  -0.04  -0.01
     8   7     0.02   0.04   0.21    -0.04  -0.00   0.08     0.16   0.05   0.02
     9   6    -0.04  -0.12  -0.20     0.19   0.00   0.07    -0.10   0.05   0.02
    10   1     0.06  -0.10   0.26     0.17   0.01   0.07     0.47   0.13  -0.01
    11   1     0.01   0.22  -0.09    -0.16   0.01  -0.01    -0.09  -0.02  -0.00
    12   1    -0.04  -0.32  -0.13     0.43  -0.02   0.04     0.16  -0.08   0.02
    13   1    -0.09  -0.13  -0.38     0.15  -0.01  -0.05    -0.38  -0.06  -0.14
    14   1    -0.04  -0.05  -0.23     0.15   0.03   0.32    -0.15   0.35   0.18
    15   1     0.03   0.04  -0.23     0.01   0.04  -0.23    -0.12  -0.11  -0.05
    16   1     0.04   0.05  -0.26    -0.02  -0.03   0.09    -0.17   0.06   0.03
    17   1     0.01   0.01  -0.02    -0.08  -0.09   0.40    -0.02   0.15   0.03
    18   1    -0.03  -0.04   0.25    -0.06  -0.04   0.16     0.13   0.09  -0.01
    19   1    -0.02  -0.04   0.26    -0.02   0.03  -0.19     0.13  -0.11  -0.02
    20   1     0.00   0.09   0.23    -0.10  -0.03   0.30     0.07   0.13   0.32
                      4                      5                      6
                      A                      A                      A
 Frequencies --    251.5487               259.7077               333.6777
 Red. masses --      1.0306                 1.4496                 3.0139
 Frc consts  --      0.0384                 0.0576                 0.1977
 IR Inten    --     32.0808                14.8692                 1.6611
 RamAct Fr= 1--      0.1167                 0.2873                 1.5790
  Dep-P Fr= 1--      0.6425                 0.7424                 0.0589
  Dep-U Fr= 1--      0.7823                 0.8521                 0.1113
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0305
 Beta2  Fr= 1--      0.0152                 0.0408                 0.0293
 AlphaG Fr= 1--      0.0011                -0.0008                 0.0095
 Gamma2 Fr= 1--      0.0385                 0.1490                -0.0372
 Delta2 Fr= 1--     -0.0368                -0.0717                -0.0114
 Raman1 Fr= 1--       0.467                  1.149                  6.316
 ROA1   Fr= 1--       2.523                 12.008                 -3.936
 CID1   Fr= 1--       5.404                 10.447                 -0.623
 Raman2 Fr= 1--       0.183                  0.490                  0.352
 ROA2   Fr= 1--       1.219                  4.150                 -0.802
 CID2   Fr= 1--       6.674                  8.473                 -2.282
 Raman3 Fr= 1--       0.365                  0.979                  0.703
 ROA3   Fr= 1--       2.523                 12.008                 -3.936
 CID3   Fr= 1--       6.907                 12.260                 -5.598
 RC180  Fr= 1--       0.565                  0.704                 -0.777
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.04  -0.01   0.00    -0.08  -0.02   0.04
     2   6    -0.01   0.01  -0.01    -0.04   0.03   0.06    -0.07  -0.06   0.10
     3   6    -0.00   0.01   0.00    -0.01   0.05   0.04    -0.03  -0.03  -0.01
     4   6     0.01   0.01  -0.00     0.02   0.03   0.07    -0.10  -0.03   0.09
     5   6     0.01  -0.00   0.00     0.03  -0.01   0.01    -0.11   0.00   0.02
     6   6     0.00  -0.01   0.01     0.00  -0.02  -0.05    -0.10   0.03  -0.11
     7   6     0.00  -0.01  -0.00     0.01   0.00  -0.01     0.03   0.04  -0.08
     8   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.09     0.14   0.09  -0.01
     9   6    -0.02  -0.01  -0.01     0.05  -0.04  -0.02     0.23  -0.02  -0.03
    10   1     0.49   0.20  -0.10     0.31   0.20  -0.18     0.11   0.01   0.02
    11   1     0.02  -0.02  -0.00     0.06  -0.04  -0.01    -0.02   0.08  -0.08
    12   1    -0.35   0.17  -0.02     0.42  -0.29   0.01     0.17   0.12  -0.07
    13   1     0.21   0.07   0.23    -0.22  -0.13  -0.35     0.53   0.11   0.06
    14   1     0.03  -0.27  -0.26    -0.01   0.25   0.26     0.25  -0.35   0.01
    15   1     0.04   0.03  -0.01     0.06   0.06   0.09    -0.14  -0.07   0.13
    16   1     0.01  -0.00  -0.00     0.06  -0.02  -0.00    -0.12   0.00   0.03
    17   1    -0.00  -0.01   0.01     0.01  -0.03  -0.13    -0.09   0.07  -0.25
    18   1    -0.01  -0.00  -0.01    -0.07  -0.02  -0.01    -0.04  -0.01   0.06
    19   1    -0.01   0.02  -0.02    -0.07   0.04   0.08    -0.08  -0.08   0.16
    20   1    -0.15  -0.11   0.53    -0.15  -0.16   0.32     0.16   0.23  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.3804               415.3491               465.0528
 Red. masses --      3.3102                 2.9778                 2.8227
 Frc consts  --      0.3064                 0.3027                 0.3597
 IR Inten    --      7.6347                 0.0411                 1.6174
 RamAct Fr= 1--      1.2367                 0.0540                 3.4631
  Dep-P Fr= 1--      0.6849                 0.3492                 0.1072
  Dep-U Fr= 1--      0.8130                 0.5176                 0.1936
 Alpha2 Fr= 1--      0.0014                 0.0005                 0.0596
 Beta2  Fr= 1--      0.1676                 0.0047                 0.1117
 AlphaG Fr= 1--     -0.0032                -0.0028                 0.0240
 Gamma2 Fr= 1--      0.4565                -0.3092                 0.2135
 Delta2 Fr= 1--      0.1038                -0.0549                -0.0617
 Raman1 Fr= 1--       4.947                  0.216                 13.852
 ROA1   Fr= 1--      47.144                -31.442                 18.523
 CID1   Fr= 1--       9.530               -145.467                  1.337
 Raman2 Fr= 1--       2.011                  0.056                  1.341
 ROA2   Fr= 1--      10.125                 -6.983                  5.618
 CID2   Fr= 1--       5.035               -124.820                  4.190
 Raman3 Fr= 1--       4.022                  0.112                  2.681
 ROA3   Fr= 1--      47.144                -31.442                 18.523
 CID3   Fr= 1--      11.722               -281.031                  6.908
 RC180  Fr= 1--       0.626                  0.035                 -0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01  -0.07     0.02   0.04  -0.21     0.09   0.02  -0.00
     2   6    -0.07   0.07  -0.07    -0.02  -0.03   0.21     0.06  -0.04  -0.01
     3   6    -0.01   0.06   0.12    -0.00   0.00  -0.00    -0.05  -0.08   0.03
     4   6    -0.00   0.10  -0.07     0.03   0.04  -0.21     0.01  -0.11  -0.02
     5   6    -0.01   0.04  -0.05    -0.02  -0.04   0.20     0.01  -0.03  -0.03
     6   6    -0.09  -0.03   0.10     0.00  -0.00  -0.00     0.09   0.02   0.04
     7   6     0.04  -0.05   0.15    -0.01   0.00  -0.00    -0.13   0.11   0.10
     8   7     0.22   0.01  -0.08    -0.01  -0.00   0.00    -0.11   0.19  -0.09
     9   6    -0.03  -0.18   0.05     0.01  -0.00  -0.00     0.03  -0.11   0.02
    10   1     0.11   0.16  -0.14    -0.01  -0.00   0.00    -0.06   0.46  -0.20
    11   1     0.11  -0.11   0.15    -0.02   0.01  -0.00    -0.17   0.10   0.11
    12   1    -0.11  -0.36   0.13     0.00   0.01  -0.00     0.01  -0.32   0.10
    13   1     0.01  -0.15  -0.11     0.01   0.00   0.01     0.29   0.03  -0.25
    14   1    -0.01  -0.19  -0.06     0.01  -0.01  -0.00     0.04  -0.38   0.06
    15   1     0.02   0.12  -0.18     0.05   0.07  -0.43     0.02  -0.10  -0.04
    16   1     0.06   0.02  -0.12    -0.04  -0.08   0.46    -0.07   0.01  -0.06
    17   1    -0.10  -0.10   0.22     0.00  -0.01   0.01     0.08   0.05   0.08
    18   1    -0.10   0.02  -0.17     0.04   0.07  -0.43     0.10   0.03  -0.03
    19   1    -0.13   0.13  -0.18    -0.04  -0.08   0.45     0.17  -0.09  -0.04
    20   1     0.28   0.22  -0.31    -0.01   0.00  -0.01    -0.12   0.16  -0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    519.1726               597.2976               638.9278
 Red. masses --      3.2119                 2.8438                 6.3743
 Frc consts  --      0.5101                 0.5978                 1.5332
 IR Inten    --      6.6799                10.3708                 0.0498
 RamAct Fr= 1--      2.3414                 1.1154                 4.2237
  Dep-P Fr= 1--      0.2185                 0.7116                 0.7490
  Dep-U Fr= 1--      0.3586                 0.8315                 0.8565
 Alpha2 Fr= 1--      0.0303                 0.0007                 0.0001
 Beta2  Fr= 1--      0.1399                 0.1546                 0.6029
 AlphaG Fr= 1--     -0.0106                 0.0012                 0.0008
 Gamma2 Fr= 1--     -0.1913                -0.0297                 0.0769
 Delta2 Fr= 1--     -0.0975                -0.0023                 0.0665
 Raman1 Fr= 1--       9.366                  4.462                 16.895
 ROA1   Fr= 1--     -21.483                 -2.930                  9.510
 CID1   Fr= 1--      -2.294                 -0.657                  0.563
 Raman2 Fr= 1--       1.679                  1.855                  7.235
 ROA2   Fr= 1--      -3.810                 -0.695                  1.314
 CID2   Fr= 1--      -2.269                 -0.375                  0.182
 Raman3 Fr= 1--       3.358                  3.710                 14.470
 ROA3   Fr= 1--     -21.483                 -2.930                  9.510
 CID3   Fr= 1--      -6.397                 -0.790                  0.657
 RC180  Fr= 1--      -0.283                  0.663                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.11    -0.01  -0.09   0.06     0.27  -0.23  -0.01
     2   6     0.01  -0.10  -0.00     0.02  -0.11  -0.07     0.22   0.22   0.05
     3   6     0.05  -0.08   0.24     0.14   0.00  -0.10    -0.01   0.14   0.02
     4   6    -0.05  -0.02   0.00    -0.00   0.04  -0.05    -0.25   0.20   0.00
     5   6    -0.06   0.03  -0.11    -0.05   0.05   0.08    -0.24  -0.25  -0.07
     6   6    -0.11  -0.02   0.14    -0.12   0.03  -0.12     0.01  -0.14  -0.03
     7   6     0.12   0.08   0.01     0.15   0.08   0.18     0.00  -0.00   0.01
     8   7    -0.08  -0.00   0.01    -0.05   0.02  -0.02     0.01   0.03  -0.00
     9   6     0.09   0.13  -0.08    -0.01  -0.00   0.00    -0.01   0.00   0.00
    10   1    -0.10  -0.00   0.01    -0.15   0.25  -0.11     0.01   0.02   0.00
    11   1     0.28   0.12  -0.04     0.10   0.03   0.20     0.01  -0.00   0.01
    12   1     0.12   0.12  -0.09    -0.25  -0.27   0.14    -0.01  -0.02   0.01
    13   1     0.05   0.11  -0.08    -0.10  -0.03  -0.16    -0.01   0.00  -0.02
    14   1     0.09   0.18  -0.07     0.03   0.12  -0.30    -0.01   0.01  -0.01
    15   1    -0.12  -0.05  -0.24    -0.13  -0.05   0.09    -0.10   0.29   0.05
    16   1    -0.02   0.07  -0.36    -0.01  -0.02   0.32    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.13   0.03  -0.06    -0.02   0.29   0.05
    18   1     0.12   0.06  -0.35     0.08  -0.06   0.31     0.12  -0.32  -0.02
    19   1     0.01  -0.04  -0.24    -0.07  -0.10   0.11     0.07   0.29   0.07
    20   1    -0.11  -0.31   0.16    -0.04  -0.31   0.01     0.00   0.03   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    713.4131               752.2143               778.0136
 Red. masses --      1.7853                 3.1731                 2.0158
 Frc consts  --      0.5354                 1.0578                 0.7189
 IR Inten    --     40.2636                13.4745                20.9051
 RamAct Fr= 1--      0.0974                13.8764                 4.0550
  Dep-P Fr= 1--      0.4597                 0.0466                 0.2556
  Dep-U Fr= 1--      0.6299                 0.0890                 0.4072
 Alpha2 Fr= 1--      0.0006                 0.2764                 0.0473
 Beta2  Fr= 1--      0.0102                 0.2058                 0.2752
 AlphaG Fr= 1--      0.0051                -0.1033                 0.0096
 Gamma2 Fr= 1--      0.0701                 1.5578                 0.6758
 Delta2 Fr= 1--     -0.0151                 0.7113                -0.1370
 Raman1 Fr= 1--       0.390                 55.506                 16.220
 ROA1   Fr= 1--       6.250                172.312                 60.493
 CID1   Fr= 1--      16.042                  3.104                  3.730
 Raman2 Fr= 1--       0.123                  2.470                  3.302
 ROA2   Fr= 1--       1.804                 31.698                 17.316
 CID2   Fr= 1--      14.704                 12.835                  5.243
 Raman3 Fr= 1--       0.245                  4.939                  6.605
 ROA3   Fr= 1--       6.250                172.312                 60.493
 CID3   Fr= 1--      25.469                 34.886                  9.159
 RC180  Fr= 1--       0.260                 -0.822                 -0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.14    -0.07   0.14   0.03     0.03  -0.06  -0.00
     2   6    -0.01  -0.02   0.07    -0.05   0.13  -0.06     0.03  -0.03  -0.08
     3   6     0.02   0.02  -0.10    -0.12  -0.03   0.10     0.01  -0.03   0.18
     4   6    -0.01  -0.01   0.08    -0.04  -0.13  -0.10     0.03   0.06  -0.06
     5   6     0.02   0.03  -0.14    -0.06  -0.15  -0.02     0.03   0.06   0.02
     6   6    -0.02  -0.01   0.07     0.15   0.03  -0.07    -0.04   0.02  -0.12
     7   6     0.00   0.00   0.00     0.08   0.03   0.10    -0.07  -0.03  -0.07
     8   7     0.00   0.00  -0.00     0.04  -0.07   0.01    -0.01   0.03  -0.01
     9   6     0.00  -0.00   0.00     0.07   0.09  -0.06    -0.03  -0.02  -0.00
    10   1    -0.00   0.02  -0.01    -0.05   0.03  -0.03     0.05  -0.08   0.04
    11   1    -0.04  -0.00   0.01     0.17   0.00   0.09     0.08   0.05  -0.13
    12   1    -0.03  -0.02   0.01    -0.03  -0.02  -0.00     0.17   0.15  -0.09
    13   1    -0.02  -0.01   0.00     0.02   0.08  -0.14     0.07   0.01   0.10
    14   1     0.00   0.01  -0.03     0.09   0.15  -0.20    -0.06  -0.14   0.26
    15   1    -0.04  -0.06   0.49     0.03  -0.10   0.08    -0.02   0.03   0.01
    16   1    -0.01  -0.03   0.19    -0.30  -0.12   0.35     0.06  -0.05   0.45
    17   1    -0.07  -0.10   0.56     0.10  -0.04   0.36    -0.11  -0.10   0.48
    18   1    -0.02  -0.04   0.21    -0.28  -0.03   0.36     0.05  -0.10   0.45
    19   1    -0.05  -0.10   0.51     0.04   0.05   0.10    -0.02  -0.03   0.02
    20   1     0.00  -0.01   0.00     0.06  -0.22  -0.01    -0.04   0.14   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.4258               861.6440               920.2131
 Red. masses --      1.2898                 1.6641                 1.5161
 Frc consts  --      0.5574                 0.7279                 0.7564
 IR Inten    --     16.1762                98.9314                22.1301
 RamAct Fr= 1--      1.2457                 0.2415                 3.4517
  Dep-P Fr= 1--      0.7425                 0.3501                 0.5630
  Dep-U Fr= 1--      0.8523                 0.5186                 0.7204
 Alpha2 Fr= 1--      0.0002                 0.0021                 0.0122
 Beta2  Fr= 1--      0.1769                 0.0209                 0.4145
 AlphaG Fr= 1--     -0.0001                 0.0033                -0.0340
 Gamma2 Fr= 1--     -0.5492                -0.0612                -2.1885
 Delta2 Fr= 1--     -0.4299                 0.0406                -1.3647
 Raman1 Fr= 1--       4.983                  0.966                 13.807
 ROA1   Fr= 1--     -66.484                 -4.576               -253.770
 CID1   Fr= 1--     -13.343                 -4.737                -18.380
 Raman2 Fr= 1--       2.123                  0.251                  4.973
 ROA2   Fr= 1--      -9.742                 -1.794                -41.607
 CID2   Fr= 1--      -4.588                 -7.160                 -8.366
 Raman3 Fr= 1--       4.247                  0.501                  9.947
 ROA3   Fr= 1--     -66.484                 -4.576               -253.770
 CID3   Fr= 1--     -15.656                 -9.134                -25.512
 RC180  Fr= 1--       0.705                  0.037                  0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.07    -0.02   0.03  -0.03    -0.02   0.03   0.01
     2   6     0.01   0.01  -0.08    -0.01   0.03  -0.03    -0.01   0.01  -0.00
     3   6    -0.00  -0.00   0.01     0.01  -0.00   0.00     0.03   0.01   0.00
     4   6    -0.01  -0.00   0.06    -0.01  -0.02   0.02    -0.01  -0.03  -0.00
     5   6    -0.00  -0.01   0.07    -0.01  -0.03   0.03    -0.03  -0.04  -0.02
     6   6    -0.00  -0.00   0.01     0.02  -0.00   0.01     0.02   0.01   0.00
     7   6    -0.02   0.01   0.01     0.07  -0.02  -0.05     0.10   0.02  -0.05
     8   7    -0.01  -0.05   0.02     0.02   0.16  -0.06    -0.06   0.04   0.03
     9   6     0.01   0.02  -0.02    -0.03  -0.07   0.06     0.00  -0.14   0.03
    10   1     0.09   0.19  -0.08    -0.25  -0.51   0.23     0.04   0.41  -0.13
    11   1    -0.02   0.02   0.01     0.09  -0.04  -0.04     0.20   0.25  -0.16
    12   1     0.01   0.03  -0.02    -0.03  -0.06   0.06     0.02   0.27  -0.12
    13   1     0.01   0.02  -0.02    -0.07  -0.09   0.11    -0.29  -0.30   0.50
    14   1     0.02   0.03  -0.03    -0.03  -0.07   0.07    -0.03   0.20   0.08
    15   1     0.04   0.06  -0.44    -0.00  -0.00  -0.17    -0.00  -0.03  -0.02
    16   1     0.07   0.08  -0.46    -0.01   0.03  -0.23    -0.09  -0.02   0.04
    17   1     0.00   0.01  -0.04     0.02  -0.01  -0.03     0.01   0.03   0.01
    18   1    -0.04  -0.09   0.44    -0.08  -0.03   0.20    -0.04   0.03  -0.06
    19   1    -0.04  -0.09   0.48    -0.03  -0.02   0.22    -0.03   0.03  -0.00
    20   1     0.03   0.16  -0.14    -0.08  -0.45   0.35     0.00   0.18  -0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    923.5110               962.3217               977.5367
 Red. masses --      1.3848                 1.3371                 1.2443
 Frc consts  --      0.6959                 0.7296                 0.7005
 IR Inten    --      1.9609                 0.6079                 0.3103
 RamAct Fr= 1--      1.1253                 0.1264                 0.5253
  Dep-P Fr= 1--      0.3438                 0.2248                 0.1019
  Dep-U Fr= 1--      0.5116                 0.3671                 0.1850
 Alpha2 Fr= 1--      0.0101                 0.0016                 0.0092
 Beta2  Fr= 1--      0.0960                 0.0077                 0.0162
 AlphaG Fr= 1--     -0.0130                 0.0046                -0.0006
 Gamma2 Fr= 1--     -1.1908                 0.3867                 0.3253
 Delta2 Fr= 1--      0.2701                -0.1250                -0.1004
 Raman1 Fr= 1--       4.501                  0.506                  2.101
 ROA1   Fr= 1--    -105.672                 33.121                 28.014
 CID1   Fr= 1--     -23.476                 65.484                 13.332
 Raman2 Fr= 1--       1.151                  0.093                  0.194
 ROA2   Fr= 1--     -30.740                 10.280                  8.610
 CID2   Fr= 1--     -26.696                110.742                 44.290
 Raman3 Fr= 1--       2.303                  0.186                  0.389
 ROA3   Fr= 1--    -105.672                 33.121                 28.014
 CID3   Fr= 1--     -45.885                178.403                 72.055
 RC180  Fr= 1--       0.023                 -0.266                 -0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.01   0.02  -0.10     0.00   0.01  -0.04
     2   6    -0.01  -0.02   0.10    -0.01  -0.02   0.09    -0.00  -0.00   0.01
     3   6     0.01   0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.01   0.09     0.01   0.01  -0.07    -0.01  -0.01   0.07
     5   6     0.00  -0.00   0.01    -0.01  -0.01   0.05     0.01   0.02  -0.09
     6   6     0.02   0.02  -0.10    -0.01  -0.00   0.03     0.00  -0.01   0.07
     7   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.00  -0.01
     8   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.02    -0.01  -0.01  -0.00     0.00   0.00   0.01
    10   1    -0.00  -0.00   0.00     0.01   0.04  -0.01     0.00  -0.02   0.01
    11   1    -0.09  -0.05   0.03     0.02   0.02  -0.01    -0.02  -0.03   0.01
    12   1    -0.09  -0.08   0.06     0.01   0.02  -0.01    -0.03  -0.03   0.03
    13   1    -0.04  -0.02  -0.02     0.00  -0.00   0.02    -0.01  -0.00  -0.02
    14   1     0.02   0.06  -0.10    -0.01   0.00   0.02     0.01   0.01  -0.04
    15   1     0.02   0.05  -0.50    -0.01  -0.04   0.39     0.01   0.04  -0.47
    16   1     0.01   0.02  -0.11     0.02   0.05  -0.27    -0.06  -0.10   0.61
    17   1    -0.06  -0.11   0.61     0.02   0.05  -0.20     0.06   0.07  -0.45
    18   1    -0.02  -0.01   0.04    -0.06  -0.11   0.62    -0.05  -0.07   0.33
    19   1     0.04   0.10  -0.50     0.04   0.10  -0.53     0.01   0.03  -0.16
    20   1     0.00   0.00  -0.01     0.00   0.01  -0.01    -0.00   0.01  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1018.1085              1025.8200              1055.3457
 Red. masses --      1.5503                 6.1378                 2.3340
 Frc consts  --      0.9468                 3.8055                 1.5316
 IR Inten    --      3.3905                 0.0287                 7.2901
 RamAct Fr= 1--      3.4550                49.2613                23.7198
  Dep-P Fr= 1--      0.4563                 0.0481                 0.0441
  Dep-U Fr= 1--      0.6266                 0.0918                 0.0844
 Alpha2 Fr= 1--      0.0206                 0.9775                 0.4752
 Beta2  Fr= 1--      0.3608                 0.7534                 0.3336
 AlphaG Fr= 1--      0.0092                -0.0095                -0.0268
 Gamma2 Fr= 1--      0.9810                -0.1896                -0.8582
 Delta2 Fr= 1--      0.9045                -0.1095                -0.6566
 Raman1 Fr= 1--      13.820                197.045                 94.879
 ROA1   Fr= 1--     123.120                -21.708               -103.401
 CID1   Fr= 1--       8.909                 -0.110                 -1.090
 Raman2 Fr= 1--       4.330                  9.041                  4.003
 ROA2   Fr= 1--      16.309                 -3.675                -15.345
 CID2   Fr= 1--       3.766                 -0.407                 -3.833
 Raman3 Fr= 1--       8.660                 18.082                  8.007
 ROA3   Fr= 1--     123.120                -21.708               -103.401
 CID3   Fr= 1--      14.217                 -1.201                -12.915
 RC180  Fr= 1--       0.253                 -0.816                 -0.831
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.03   0.05   0.00    -0.05   0.20   0.03
     2   6    -0.01  -0.01   0.01    -0.16  -0.36  -0.08     0.05  -0.06  -0.01
     3   6     0.03   0.01  -0.05    -0.00   0.01   0.01     0.05   0.00   0.01
     4   6    -0.00  -0.00   0.02    -0.21   0.34   0.02     0.05   0.06   0.02
     5   6    -0.02  -0.02  -0.01    -0.01  -0.05  -0.00    -0.03  -0.20  -0.04
     6   6     0.01   0.00  -0.00     0.37   0.02   0.04    -0.14  -0.01  -0.02
     7   6     0.02   0.12   0.02     0.01  -0.00   0.01     0.01   0.00  -0.04
     8   7     0.06  -0.09   0.01     0.00  -0.00  -0.00    -0.02  -0.01   0.00
     9   6    -0.13  -0.01  -0.01     0.02  -0.00  -0.00    -0.02   0.01   0.03
    10   1    -0.08   0.10  -0.07     0.01   0.00  -0.00     0.07  -0.07   0.02
    11   1     0.15   0.35  -0.10    -0.00  -0.00   0.01     0.03  -0.09  -0.00
    12   1     0.27   0.09  -0.11    -0.01   0.01  -0.00    -0.04  -0.11   0.07
    13   1     0.26   0.15  -0.01    -0.02  -0.02   0.03     0.04   0.04  -0.10
    14   1    -0.17  -0.39   0.49     0.02   0.03  -0.04    -0.00  -0.05  -0.01
    15   1     0.02   0.02  -0.11    -0.15   0.39   0.13     0.31   0.22   0.04
    16   1    -0.03  -0.02   0.01     0.03  -0.04  -0.05     0.29  -0.37  -0.01
    17   1     0.00   0.03   0.03     0.38   0.02   0.06    -0.15  -0.01  -0.02
    18   1     0.00   0.02  -0.02     0.01   0.05   0.01     0.26   0.40   0.11
    19   1    -0.01   0.00  -0.04    -0.09  -0.41  -0.08     0.35  -0.20  -0.00
    20   1     0.09  -0.39  -0.02     0.00   0.03   0.00    -0.02   0.17  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1072.7762              1107.0832              1123.3241
 Red. masses --      2.2777                 1.6577                 1.8784
 Frc consts  --      1.5444                 1.1971                 1.3965
 IR Inten    --     20.4139                 3.1311                 3.1838
 RamAct Fr= 1--      9.9464                 1.6016                 9.4032
  Dep-P Fr= 1--      0.3710                 0.3168                 0.0958
  Dep-U Fr= 1--      0.5413                 0.4812                 0.1749
 Alpha2 Fr= 1--      0.0815                 0.0156                 0.1663
 Beta2  Fr= 1--      0.8973                 0.1284                 0.2740
 AlphaG Fr= 1--     -0.0530                 0.0246                 0.0248
 Gamma2 Fr= 1--     -0.4362                -1.0137                 0.5038
 Delta2 Fr= 1--      0.8241                -0.5461                -0.3314
 Raman1 Fr= 1--      39.786                  6.407                 37.613
 ROA1   Fr= 1--     -15.508               -114.790                 37.754
 CID1   Fr= 1--      -0.390                -17.918                  1.004
 Raman2 Fr= 1--      10.767                  1.541                  3.288
 ROA2   Fr= 1--     -17.062                -19.959                 14.742
 CID2   Fr= 1--      -1.585                -12.950                  4.483
 Raman3 Fr= 1--      21.534                  3.083                  6.577
 ROA3   Fr= 1--     -15.508               -114.790                 37.754
 CID3   Fr= 1--      -0.720                -37.238                  5.741
 RC180  Fr= 1--       0.083                 -0.038                 -0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.08  -0.05  -0.00     0.01   0.01   0.00
     2   6    -0.04  -0.02  -0.02    -0.08  -0.05  -0.02     0.06   0.01  -0.00
     3   6     0.02   0.04   0.05    -0.10   0.04   0.00    -0.12  -0.04   0.03
     4   6     0.03  -0.05  -0.02     0.09  -0.02   0.02    -0.06   0.03  -0.02
     5   6    -0.04  -0.01  -0.01    -0.01  -0.04  -0.01     0.06   0.05   0.02
     6   6     0.03   0.05   0.01    -0.04   0.07   0.01    -0.03  -0.05  -0.01
     7   6     0.04   0.18  -0.17    -0.06   0.02   0.04    -0.03   0.14  -0.07
     8   7    -0.02  -0.09   0.00     0.05  -0.01  -0.02     0.06  -0.06  -0.00
     9   6    -0.03  -0.01   0.15     0.05  -0.03  -0.03     0.05  -0.05   0.06
    10   1     0.24  -0.26   0.05    -0.11  -0.06   0.01    -0.09   0.06  -0.05
    11   1     0.15  -0.06  -0.09    -0.16   0.10   0.03    -0.33   0.29  -0.07
    12   1    -0.25  -0.42   0.34    -0.02   0.15  -0.08    -0.20  -0.04   0.10
    13   1    -0.01   0.02  -0.21    -0.13  -0.12   0.16    -0.18  -0.15   0.09
    14   1     0.02  -0.11  -0.13     0.04   0.18  -0.08     0.06   0.19  -0.19
    15   1     0.05  -0.05   0.08     0.48   0.23   0.01    -0.13  -0.01   0.05
    16   1    -0.23   0.09  -0.02    -0.08  -0.02   0.02     0.29  -0.06   0.02
    17   1     0.02   0.26   0.04    -0.06   0.46   0.07    -0.01  -0.31  -0.07
    18   1     0.03  -0.05  -0.01     0.34   0.10   0.06     0.02   0.01   0.02
    19   1    -0.23   0.05   0.06    -0.24   0.02  -0.02     0.37  -0.15   0.02
    20   1    -0.01   0.30  -0.06     0.04  -0.25   0.05     0.09  -0.38  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.6482              1205.2729              1209.3653
 Red. masses --      1.1198                 1.4847                 1.1355
 Frc consts  --      0.9259                 1.2708                 0.9785
 IR Inten    --      0.2356                 5.1110                 1.0457
 RamAct Fr= 1--      3.6795                 1.5786                 6.1989
  Dep-P Fr= 1--      0.7500                 0.4788                 0.5495
  Dep-U Fr= 1--      0.8571                 0.6476                 0.7092
 Alpha2 Fr= 1--      0.0000                 0.0086                 0.0238
 Beta2  Fr= 1--      0.5256                 0.1704                 0.7327
 AlphaG Fr= 1--     -0.0000                -0.0045                 0.0209
 Gamma2 Fr= 1--      0.2223                -1.8082                 0.0197
 Delta2 Fr= 1--      0.1719                -0.2752                 0.2411
 Raman1 Fr= 1--      14.718                  6.315                 24.796
 ROA1   Fr= 1--      26.844               -182.399                  9.603
 CID1   Fr= 1--       1.824                -28.886                  0.387
 Raman2 Fr= 1--       6.308                  2.045                  8.793
 ROA2   Fr= 1--       3.961                -41.196                 -1.457
 CID2   Fr= 1--       0.628                -20.149                 -0.166
 Raman3 Fr= 1--      12.615                  4.089                 17.586
 ROA3   Fr= 1--      26.844               -182.399                  9.603
 CID3   Fr= 1--       2.128                -44.606                  0.546
 RC180  Fr= 1--       0.714                  0.295                  0.418
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.01     0.02  -0.02  -0.00    -0.04  -0.03  -0.01
     2   6     0.01  -0.01   0.00     0.02  -0.02   0.01     0.05  -0.03   0.00
     3   6    -0.01   0.00  -0.01    -0.09   0.06  -0.05    -0.03   0.00  -0.00
     4   6    -0.01  -0.01  -0.00    -0.04  -0.03  -0.00     0.04   0.03   0.01
     5   6     0.05  -0.02   0.00     0.03   0.02   0.01    -0.04   0.03  -0.00
     6   6    -0.01   0.06   0.01    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
     7   6    -0.00   0.01   0.01    -0.02   0.08   0.10     0.01  -0.00  -0.00
     8   7    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.01  -0.03  -0.03    -0.01  -0.00   0.00
    10   1     0.02  -0.03   0.01     0.18  -0.43   0.12    -0.00   0.00   0.00
    11   1     0.06  -0.01   0.01     0.61  -0.09   0.05     0.05  -0.03   0.00
    12   1     0.01   0.02  -0.01     0.04   0.12  -0.08     0.01   0.01  -0.00
    13   1    -0.00  -0.01   0.01    -0.02  -0.05   0.14     0.02   0.01  -0.01
    14   1    -0.00   0.01   0.01    -0.01   0.11   0.07    -0.01   0.01   0.01
    15   1    -0.15  -0.10  -0.02    -0.08  -0.05  -0.05     0.44   0.28   0.05
    16   1     0.45  -0.23   0.01     0.03   0.02  -0.00    -0.41   0.22  -0.00
    17   1    -0.04   0.63   0.11     0.00  -0.20  -0.03    -0.01  -0.02  -0.00
    18   1    -0.40  -0.25  -0.09     0.18   0.08   0.03    -0.39  -0.25  -0.09
    19   1     0.20  -0.10  -0.00     0.20  -0.12  -0.02     0.47  -0.24  -0.00
    20   1    -0.01   0.03   0.01    -0.08   0.35   0.08     0.00   0.00  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1238.3137              1330.5392              1337.8429
 Red. masses --      2.5220                 1.3551                 4.4957
 Frc consts  --      2.2785                 1.4135                 4.7408
 IR Inten    --      8.3355                 7.9831                 1.3839
 RamAct Fr= 1--     17.1246                10.7568                 2.2393
  Dep-P Fr= 1--      0.0452                 0.3429                 0.1108
  Dep-U Fr= 1--      0.0864                 0.5107                 0.1995
 Alpha2 Fr= 1--      0.3422                 0.0966                 0.0382
 Beta2  Fr= 1--      0.2467                 0.9156                 0.0745
 AlphaG Fr= 1--     -0.1552                -0.0477                 0.0243
 Gamma2 Fr= 1--      0.8407                -1.3577                 0.4984
 Delta2 Fr= 1--      0.6960                -0.8330                 0.0542
 Raman1 Fr= 1--      68.498                 43.027                  8.957
 ROA1   Fr= 1--     102.975               -156.993                 49.577
 CID1   Fr= 1--       1.503                 -3.649                  5.535
 Raman2 Fr= 1--       2.960                 10.987                  0.893
 ROA2   Fr= 1--      14.608                -25.920                 11.528
 CID2   Fr= 1--       4.935                 -2.359                 12.903
 Raman3 Fr= 1--       5.920                 21.975                  1.787
 ROA3   Fr= 1--     102.975               -156.993                 49.577
 CID3   Fr= 1--      17.393                 -7.144                 27.746
 RC180  Fr= 1--      -0.827                  0.021                 -0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.00     0.01   0.02   0.00    -0.19  -0.11  -0.04
     2   6     0.04  -0.00   0.00    -0.01   0.00   0.00     0.17  -0.10  -0.00
     3   6     0.23   0.00   0.04     0.03  -0.02  -0.03     0.04   0.32   0.06
     4   6     0.05   0.02   0.01     0.02   0.01   0.01    -0.12  -0.11  -0.03
     5   6    -0.07  -0.05  -0.02    -0.02   0.00  -0.00     0.17  -0.13  -0.00
     6   6     0.01  -0.01  -0.00     0.00  -0.02  -0.00    -0.01   0.18   0.03
     7   6    -0.17   0.12   0.07    -0.11  -0.09   0.02    -0.07  -0.09  -0.04
     8   7     0.03  -0.06  -0.07     0.01   0.00  -0.01     0.04   0.02   0.03
     9   6     0.05  -0.05  -0.06     0.05   0.04   0.05     0.01   0.02   0.02
    10   1     0.06  -0.40   0.08    -0.07   0.01  -0.01    -0.16   0.25  -0.06
    11   1    -0.45   0.12   0.13     0.51   0.66  -0.39    -0.11   0.07  -0.10
    12   1    -0.07   0.18  -0.11    -0.15  -0.11   0.13    -0.03  -0.01   0.03
    13   1    -0.15  -0.15   0.22    -0.10  -0.01  -0.14    -0.06   0.00  -0.10
    14   1     0.02   0.20   0.02     0.08   0.01  -0.15     0.02  -0.05  -0.06
    15   1    -0.20  -0.14  -0.02    -0.01  -0.01  -0.02    -0.21  -0.17  -0.03
    16   1    -0.26   0.05  -0.02    -0.01  -0.00  -0.00    -0.46   0.18  -0.03
    17   1     0.01  -0.01  -0.00    -0.00   0.03   0.00     0.00  -0.13  -0.02
    18   1    -0.30  -0.09  -0.04    -0.06  -0.02  -0.01     0.30   0.19   0.07
    19   1    -0.08   0.07  -0.00    -0.01   0.01  -0.02     0.11  -0.07   0.00
    20   1    -0.05   0.09   0.14    -0.01  -0.03   0.05     0.06  -0.25   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1361.5267              1406.4366              1413.6672
 Red. masses --      1.4414                 1.2308                 1.3310
 Frc consts  --      1.5743                 1.4345                 1.5672
 IR Inten    --      0.4732                 6.9771                13.0961
 RamAct Fr= 1--      0.6914                 1.2716                 5.0866
  Dep-P Fr= 1--      0.5984                 0.6138                 0.7397
  Dep-U Fr= 1--      0.7488                 0.7607                 0.8504
 Alpha2 Fr= 1--      0.0019                 0.0032                 0.0009
 Beta2  Fr= 1--      0.0863                 0.1612                 0.7209
 AlphaG Fr= 1--     -0.0060                 0.0044                 0.0055
 Gamma2 Fr= 1--     -0.0000                 0.0654                -0.4545
 Delta2 Fr= 1--     -0.0975                -0.3122                 1.2755
 Raman1 Fr= 1--       2.766                  5.087                 20.346
 ROA1   Fr= 1--      -3.124                 -3.715                 -2.817
 CID1   Fr= 1--      -1.129                 -0.730                 -0.138
 Raman2 Fr= 1--       1.035                  1.935                  8.651
 ROA2   Fr= 1--       0.779                  4.066                -21.112
 CID2   Fr= 1--       0.752                  2.102                 -2.440
 Raman3 Fr= 1--       2.071                  3.869                 17.302
 ROA3   Fr= 1--      -3.124                 -3.715                 -2.817
 CID3   Fr= 1--      -1.508                 -0.960                 -0.163
 RC180  Fr= 1--       0.498                  0.521                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.01  -0.02  -0.00
     2   6    -0.10   0.03  -0.01    -0.01   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.01   0.06   0.01     0.00   0.00  -0.00    -0.03   0.01   0.01
     4   6     0.10   0.04   0.02     0.01   0.00   0.00    -0.01  -0.00  -0.00
     5   6    -0.02  -0.00  -0.00    -0.01   0.00   0.00     0.03  -0.00   0.00
     6   6     0.01  -0.10  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.02  -0.02    -0.04   0.01  -0.02     0.11  -0.05   0.05
     8   7     0.01   0.00   0.01     0.01   0.01   0.02    -0.03  -0.02  -0.05
     9   6    -0.01  -0.01   0.01     0.06   0.07  -0.09    -0.01   0.05  -0.04
    10   1    -0.04   0.09  -0.02    -0.04   0.12  -0.02     0.13  -0.24   0.04
    11   1    -0.04  -0.07   0.01     0.18  -0.26   0.05    -0.47   0.56  -0.07
    12   1     0.02   0.06  -0.02    -0.32  -0.38   0.16     0.03  -0.32   0.10
    13   1     0.04   0.02  -0.05    -0.35  -0.16   0.37    -0.02   0.01   0.27
    14   1    -0.00   0.04  -0.04    -0.00  -0.31   0.43    -0.01  -0.15   0.13
    15   1    -0.48  -0.32  -0.07    -0.02  -0.01  -0.01     0.00   0.01   0.00
    16   1    -0.28   0.12  -0.01    -0.01   0.00  -0.00    -0.05   0.04   0.00
    17   1    -0.02   0.31   0.05    -0.00   0.01   0.00    -0.00   0.07   0.01
    18   1     0.25   0.13   0.05    -0.01  -0.00  -0.00     0.10   0.05   0.02
    19   1     0.49  -0.27  -0.00     0.04  -0.02  -0.01     0.10  -0.04   0.00
    20   1     0.01  -0.05   0.01     0.04  -0.13  -0.03    -0.08   0.30   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1483.9408              1491.0866              1498.3194
 Red. masses --      1.7018                 1.2132                 1.0754
 Frc consts  --      2.2080                 1.5892                 1.4224
 IR Inten    --      8.6459                 1.6731                 5.4576
 RamAct Fr= 1--      1.5949                 5.0933                 3.8501
  Dep-P Fr= 1--      0.7393                 0.7448                 0.6148
  Dep-U Fr= 1--      0.8501                 0.8537                 0.7615
 Alpha2 Fr= 1--      0.0003                 0.0004                 0.0095
 Beta2  Fr= 1--      0.2260                 0.7247                 0.4886
 AlphaG Fr= 1--      0.0027                 0.0061                 0.0205
 Gamma2 Fr= 1--      4.3068                -1.3954                 0.0648
 Delta2 Fr= 1--     -1.6610                 0.1055                 0.7434
 Raman1 Fr= 1--       6.380                 20.373                 15.400
 ROA1   Fr= 1--     360.300               -130.585                 30.008
 CID1   Fr= 1--      56.476                 -6.410                  1.949
 Raman2 Fr= 1--       2.712                  8.697                  5.863
 ROA2   Fr= 1--     116.651                -34.335                 -4.392
 CID2   Fr= 1--      43.016                 -3.948                 -0.749
 Raman3 Fr= 1--       5.424                 17.393                 11.727
 ROA3   Fr= 1--     360.300               -130.585                 30.008
 CID3   Fr= 1--      66.432                 -7.508                  2.559
 RC180  Fr= 1--       0.700                  0.707                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.01    -0.05   0.01  -0.00    -0.01   0.01  -0.00
     2   6     0.05   0.05   0.02     0.04   0.02   0.01     0.02  -0.00   0.00
     3   6     0.02  -0.12  -0.02     0.00  -0.06  -0.01     0.00  -0.02  -0.00
     4   6    -0.08   0.03  -0.00    -0.03   0.02   0.00    -0.00   0.01   0.00
     5   6     0.11   0.01   0.01     0.05   0.00   0.01     0.02  -0.00   0.00
     6   6     0.01  -0.09  -0.01    -0.00  -0.05  -0.01    -0.00  -0.01  -0.00
     7   6     0.01   0.02   0.00    -0.02   0.04   0.01    -0.04   0.00  -0.02
     8   7    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.01
     9   6     0.03  -0.03  -0.00    -0.02   0.04   0.02    -0.03  -0.01  -0.03
    10   1     0.05  -0.04   0.01    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    11   1     0.06   0.00  -0.00     0.09  -0.09   0.04     0.12  -0.05  -0.03
    12   1    -0.42   0.18   0.00     0.55  -0.06  -0.05     0.16  -0.45   0.11
    13   1     0.10   0.03  -0.25    -0.31  -0.12   0.19     0.47   0.17   0.46
    14   1    -0.05   0.19   0.33     0.10  -0.39  -0.49    -0.04   0.47  -0.10
    15   1     0.11   0.16   0.03     0.01   0.06   0.01    -0.02   0.01  -0.00
    16   1    -0.22   0.19   0.01    -0.14   0.11   0.00    -0.06   0.04  -0.00
    17   1    -0.02   0.47   0.08    -0.02   0.23   0.04    -0.01   0.07   0.01
    18   1     0.26   0.23   0.07     0.07   0.09   0.03    -0.00   0.02   0.00
    19   1    -0.05   0.12   0.02    -0.05   0.07  -0.00    -0.06   0.03   0.01
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.01     0.02  -0.08   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1535.5593              1627.7437              1650.0400
 Red. masses --      2.1856                 5.4534                 4.4728
 Frc consts  --      3.0364                 8.5132                 7.1750
 IR Inten    --     12.7143                 1.2919                 3.0045
 RamAct Fr= 1--      0.3128                 7.9883                31.0696
  Dep-P Fr= 1--      0.6750                 0.7196                 0.6602
  Dep-U Fr= 1--      0.8060                 0.8369                 0.7953
 Alpha2 Fr= 1--      0.0004                 0.0042                 0.0498
 Beta2  Fr= 1--      0.0420                 1.1143                 4.1183
 AlphaG Fr= 1--      0.0031                 0.0133                 0.0230
 Gamma2 Fr= 1--     -0.6296                -0.3071                -1.7742
 Delta2 Fr= 1--      0.2055                 0.0399                -0.7886
 Raman1 Fr= 1--       1.251                 31.953                124.279
 ROA1   Fr= 1--     -53.864                -28.209               -195.564
 CID1   Fr= 1--     -43.048                 -0.883                 -1.574
 Raman2 Fr= 1--       0.504                 13.372                 49.420
 ROA2   Fr= 1--     -16.754                 -7.691                -36.273
 CID2   Fr= 1--     -33.226                 -0.575                 -0.734
 Raman3 Fr= 1--       1.008                 26.743                 98.840
 ROA3   Fr= 1--     -53.864                -28.209               -195.564
 CID3   Fr= 1--     -53.410                 -1.055                 -1.979
 RC180  Fr= 1--       0.612                  0.674                  0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.11  -0.03    -0.06  -0.20  -0.04    -0.24  -0.06  -0.04
     2   6    -0.08   0.09   0.01    -0.10   0.17   0.02     0.27  -0.07   0.02
     3   6     0.14   0.01   0.02     0.00  -0.29  -0.05    -0.19  -0.00  -0.02
     4   6    -0.06  -0.10  -0.02     0.10   0.20   0.04     0.24   0.08   0.04
     5   6    -0.12   0.09   0.00     0.08  -0.21  -0.03    -0.24   0.06  -0.02
     6   6     0.10   0.01   0.01    -0.02   0.36   0.06     0.12  -0.01   0.01
     7   6    -0.04   0.00  -0.01    -0.01   0.04   0.01     0.02  -0.01   0.01
     8   7     0.00   0.00   0.00    -0.01   0.00  -0.00    -0.03   0.02   0.01
     9   6    -0.01   0.00   0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    10   1    -0.03   0.01  -0.00     0.09  -0.03   0.01     0.33  -0.11   0.04
    11   1    -0.01  -0.02   0.00     0.12  -0.02   0.01     0.02   0.04  -0.01
    12   1     0.09  -0.05   0.00     0.02  -0.01   0.00    -0.02   0.00   0.00
    13   1     0.01  -0.00   0.08    -0.02  -0.02   0.03    -0.01  -0.00  -0.01
    14   1     0.01   0.01  -0.09     0.01   0.00  -0.03     0.00  -0.02   0.02
    15   1     0.39   0.17   0.05    -0.33  -0.06  -0.03    -0.25  -0.24  -0.05
    16   1     0.44  -0.18   0.02    -0.25  -0.06  -0.04     0.22  -0.18  -0.00
    17   1     0.13  -0.02   0.01     0.02  -0.49  -0.09     0.13   0.03   0.02
    18   1     0.42   0.20   0.08     0.23  -0.04   0.02     0.19   0.21   0.06
    19   1     0.44  -0.16   0.01     0.29  -0.02   0.02    -0.30   0.22   0.01
    20   1     0.00  -0.02   0.01     0.01  -0.02  -0.05     0.08  -0.19  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1658.2903              3013.5170              3025.4565
 Red. masses --      1.1455                 1.0828                 1.0358
 Frc consts  --      1.8559                 5.7936                 5.5859
 IR Inten    --     42.3108                13.9617                28.9157
 RamAct Fr= 1--      6.8979               169.0736               154.0864
  Dep-P Fr= 1--      0.5111                 0.1686                 0.0326
  Dep-U Fr= 1--      0.6764                 0.2886                 0.0631
 Alpha2 Fr= 1--      0.0323                 2.4921                 3.1721
 Beta2  Fr= 1--      0.7777                 8.1326                 1.6203
 AlphaG Fr= 1--     -0.0209                 2.6912                -1.0775
 Gamma2 Fr= 1--      1.3197                13.3685                 0.1391
 Delta2 Fr= 1--      1.7376                 7.8124                 0.6634
 Raman1 Fr= 1--      27.592                676.294                616.346
 ROA1   Fr= 1--     182.296               1533.368                 34.582
 CID1   Fr= 1--       6.607                  2.267                  0.056
 Raman2 Fr= 1--       9.332                 97.592                 19.444
 ROA2   Fr= 1--      17.773                258.344                 -1.968
 CID2   Fr= 1--       1.904                  2.647                 -0.101
 Raman3 Fr= 1--      18.664                195.183                 38.887
 ROA3   Fr= 1--     182.296               1533.368                 34.582
 CID3   Fr= 1--       9.767                  7.856                  0.889
 RC180  Fr= 1--       0.353                 -0.423                 -0.874
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.03   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.03   0.02   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.03  -0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.02  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.02  -0.01   0.02    -0.01  -0.03  -0.07     0.00   0.00   0.01
     8   7    -0.05   0.05   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.03  -0.02   0.04
    10   1     0.66  -0.21   0.08    -0.00  -0.00  -0.02     0.00  -0.00   0.00
    11   1    -0.01   0.04  -0.01     0.17   0.35   0.89    -0.02  -0.05  -0.12
    12   1     0.03   0.01  -0.01    -0.03  -0.07  -0.18    -0.11  -0.22  -0.57
    13   1    -0.01  -0.00   0.01    -0.00   0.01   0.00    -0.20   0.42   0.04
    14   1     0.01   0.00  -0.03     0.01   0.00   0.00     0.60   0.04   0.10
    15   1     0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.02   0.02  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.03  -0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.04  -0.03  -0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
    20   1     0.17  -0.43  -0.53    -0.00  -0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8138              3100.6079              3161.3301
 Red. masses --      1.1026                 1.1003                 1.0852
 Frc consts  --      6.1982                 6.2323                 6.3902
 IR Inten    --     39.7956                28.3155                 5.8156
 RamAct Fr= 1--    104.2990                49.1539                33.3425
  Dep-P Fr= 1--      0.5656                 0.7136                 0.6798
  Dep-U Fr= 1--      0.7225                 0.8329                 0.8093
 Alpha2 Fr= 1--      0.3641                 0.0309                 0.0413
 Beta2  Fr= 1--     12.5595                 6.8233                 4.4976
 AlphaG Fr= 1--     -0.0658                 0.0140                -0.0743
 Gamma2 Fr= 1--     -9.1903                -4.4240                -2.2249
 Delta2 Fr= 1--     -7.5140                -0.6857                -0.3628
 Raman1 Fr= 1--     417.196                196.615                133.370
 ROA1   Fr= 1--   -1122.716               -446.646               -225.198
 CID1   Fr= 1--      -2.691                 -2.272                 -1.689
 Raman2 Fr= 1--     150.714                 81.880                 53.971
 ROA2   Fr= 1--    -160.455               -100.691                -50.494
 CID2   Fr= 1--      -1.065                 -1.230                 -0.936
 Raman3 Fr= 1--     301.428                163.760                107.943
 ROA3   Fr= 1--   -1122.716               -446.646               -225.198
 CID3   Fr= 1--      -3.725                 -2.727                 -2.086
 RC180  Fr= 1--       0.445                  0.666                  0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.04   0.00
     2   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.01
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.00   0.00
     7   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.07  -0.02  -0.06     0.05  -0.07  -0.03     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1     0.02   0.05   0.12     0.01   0.02   0.06     0.00   0.00   0.01
    12   1     0.09   0.23   0.62     0.07   0.11   0.33     0.00   0.00   0.01
    13   1    -0.00  -0.04  -0.02    -0.36   0.80   0.06    -0.02   0.05   0.00
    14   1     0.72   0.05   0.10    -0.28  -0.04  -0.05    -0.01  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.04  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.11   0.22   0.05
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.33  -0.01  -0.04
    18   1     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.30  -0.46  -0.05
    19   1    -0.00  -0.00  -0.00    -0.03  -0.06  -0.01     0.31   0.63   0.15
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3169.2611              3179.3424              3192.0255
 Red. masses --      1.0872                 1.0919                 1.0961
 Frc consts  --      6.4339                 6.5028                 6.5802
 IR Inten    --      1.3949                27.3939                19.9980
 RamAct Fr= 1--    127.5400                68.3783               231.6581
  Dep-P Fr= 1--      0.5994                 0.6929                 0.1145
  Dep-U Fr= 1--      0.7496                 0.8186                 0.2055
 Alpha2 Fr= 1--      0.3558                 0.0683                 3.9137
 Beta2  Fr= 1--     15.9330                 9.3291                 7.9346
 AlphaG Fr= 1--     -0.0888                -0.1117                -0.3593
 Gamma2 Fr= 1--      3.5289                -0.0564                -1.7501
 Delta2 Fr= 1--      1.7897                 2.5434                -2.8616
 Raman1 Fr= 1--     510.160                273.513                926.633
 ROA1   Fr= 1--     396.044                 75.979               -259.582
 CID1   Fr= 1--       0.776                  0.278                 -0.280
 Raman2 Fr= 1--     191.196                111.949                 95.215
 ROA2   Fr= 1--      70.376                -21.700                -19.110
 CID2   Fr= 1--       0.368                 -0.194                 -0.201
 Raman3 Fr= 1--     382.392                223.897                190.431
 ROA3   Fr= 1--     396.044                 75.979               -259.582
 CID3   Fr= 1--       1.036                  0.339                 -1.363
 RC180  Fr= 1--       0.499                  0.637                 -0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.03  -0.04  -0.00    -0.03   0.04   0.01
     2   6     0.02   0.04   0.01    -0.02  -0.03  -0.01     0.01   0.02   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.01   0.01   0.00    -0.00   0.01   0.00    -0.01   0.01   0.00
     5   6    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01    -0.01  -0.03  -0.01
     6   6     0.04   0.00   0.01    -0.03   0.00  -0.00    -0.06  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.03  -0.00    -0.01   0.02   0.00     0.00  -0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.08  -0.13  -0.01     0.07  -0.12  -0.01     0.11  -0.17  -0.01
    16   1     0.31   0.62   0.14     0.23   0.45   0.10     0.13   0.27   0.06
    17   1    -0.49  -0.02  -0.06     0.34   0.01   0.04     0.71   0.03   0.08
    18   1     0.00  -0.00   0.00    -0.34   0.52   0.06     0.29  -0.46  -0.05
    19   1    -0.21  -0.42  -0.10     0.20   0.39   0.09    -0.10  -0.19  -0.04
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3207.9651              3472.4785              3554.5498
 Red. masses --      1.0917                 1.0507                 1.0906
 Frc consts  --      6.6195                 7.4647                 8.1188
 IR Inten    --      5.2912                 0.3909                 0.6503
 RamAct Fr= 1--    127.8736               125.3612                85.8146
  Dep-P Fr= 1--      0.1402                 0.0917                 0.5298
  Dep-U Fr= 1--      0.2459                 0.1680                 0.6926
 Alpha2 Fr= 1--      2.0264                 2.2398                 0.3660
 Beta2  Fr= 1--      5.2406                 3.5103                 9.9061
 AlphaG Fr= 1--     -0.0732                 1.8612                -0.3141
 Gamma2 Fr= 1--      0.9442                 5.7210                 5.1510
 Delta2 Fr= 1--      0.4481                 3.1084                -1.7620
 Raman1 Fr= 1--     511.494                501.445                343.258
 ROA1   Fr= 1--     104.981                648.683                438.108
 CID1   Fr= 1--       0.205                  1.294                  1.276
 Raman2 Fr= 1--      62.888                 42.124                118.873
 ROA2   Fr= 1--      19.076                112.437                137.719
 CID2   Fr= 1--       0.303                  2.669                  1.159
 Raman3 Fr= 1--     125.775                 84.247                237.746
 ROA3   Fr= 1--     104.981                648.683                438.108
 CID3   Fr= 1--       0.835                  7.700                  1.843
 RC180  Fr= 1--      -0.508                 -0.664                  0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.04  -0.07  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01  -0.02  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.03  -0.02  -0.04    -0.06  -0.02  -0.05
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.01     0.04   0.32   0.78    -0.00   0.19   0.49
    11   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.01   0.01
    12   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.51   0.80   0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.12   0.23   0.05     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.10   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.03  -0.05  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00   0.00   0.00    -0.50  -0.03  -0.18     0.81   0.06   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   528.039191542.246921943.31143
           X            0.99994   0.01012  -0.00505
           Y           -0.01008   0.99991   0.00830
           Z            0.00513  -0.00825   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16403     0.05616     0.04457
 Rotational constants (GHZ):           3.41782     1.17020     0.92869
 Zero-point vibrational energy     455950.5 (Joules/Mol)
                                  108.97479 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.16   202.72   326.51   361.92   373.66
          (Kelvin)            480.09   570.30   597.59   669.11   746.97
                              859.38   919.27  1026.44  1082.27  1119.39
                             1232.21  1239.71  1323.98  1328.73  1384.57
                             1406.46  1464.83  1475.93  1518.41  1543.49
                             1592.85  1616.21  1704.44  1734.12  1740.01
                             1781.66  1914.35  1924.86  1958.93  2023.55
                             2033.95  2135.06  2145.34  2155.75  2209.33
                             2341.96  2374.04  2385.91  4335.78  4352.96
                             4444.11  4461.08  4548.45  4559.86  4574.36
                             4592.61  4615.55  4996.12  5114.20
 
 Zero-point correction=                           0.173662 (Hartree/Particle)
 Thermal correction to Energy=                    0.182142
 Thermal correction to Enthalpy=                  0.183086
 Thermal correction to Gibbs Free Energy=         0.140222
 Sum of electronic and zero-point Energies=           -366.225232
 Sum of electronic and thermal Energies=              -366.216752
 Sum of electronic and thermal Enthalpies=            -366.215808
 Sum of electronic and thermal Free Energies=         -366.258672
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.296             32.999             90.214
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.850
 Vibrational            112.518             27.038             21.076
 Vibration     1          0.594              1.982              5.343
 Vibration     2          0.615              1.912              2.792
 Vibration     3          0.651              1.800              1.903
 Vibration     4          0.664              1.760              1.720
 Vibration     5          0.668              1.746              1.664
 Vibration     6          0.715              1.608              1.242
 Vibration     7          0.763              1.478              0.976
 Vibration     8          0.779              1.437              0.908
 Vibration     9          0.823              1.328              0.752
 Vibration    10          0.874              1.208              0.612
 Vibration    11          0.955              1.038              0.454
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.317921D-64        -64.497680       -148.511397
 Total V=0       0.240658D+16         15.381401         35.416985
 Vib (Bot)       0.134797D-77        -77.870319       -179.303036
 Vib (Bot)    1  0.539747D+01          0.732190          1.685930
 Vib (Bot)    2  0.144279D+01          0.159203          0.366580
 Vib (Bot)    3  0.869067D+00         -0.060947         -0.140335
 Vib (Bot)    4  0.775309D+00         -0.110525         -0.254494
 Vib (Bot)    5  0.747992D+00         -0.126103         -0.290363
 Vib (Bot)    6  0.558688D+00         -0.252830         -0.582164
 Vib (Bot)    7  0.450847D+00         -0.345971         -0.796627
 Vib (Bot)    8  0.424249D+00         -0.372380         -0.857436
 Vib (Bot)    9  0.364206D+00         -0.438652         -1.010035
 Vib (Bot)   10  0.311141D+00         -0.507042         -1.167508
 Vib (Bot)   11  0.250686D+00         -0.600869         -1.383553
 Vib (V=0)       0.102038D+03          2.008762          4.625346
 Vib (V=0)    1  0.592058D+01          0.772364          1.778434
 Vib (V=0)    2  0.202697D+01          0.306848          0.706544
 Vib (V=0)    3  0.150264D+01          0.176854          0.407221
 Vib (V=0)    4  0.142255D+01          0.153068          0.352453
 Vib (V=0)    5  0.139972D+01          0.146041          0.336271
 Vib (V=0)    6  0.124976D+01          0.096825          0.222948
 Vib (V=0)    7  0.117325D+01          0.069390          0.159776
 Vib (V=0)    8  0.115573D+01          0.062858          0.144735
 Vib (V=0)    9  0.111858D+01          0.048669          0.112064
 Vib (V=0)   10  0.108890D+01          0.036990          0.085172
 Vib (V=0)   11  0.105932D+01          0.025029          0.057631
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.450326D+06          5.653527         13.017727
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333 33                                              111 1111 11111 1111111111                                    
     5  4       2111110 00                                              666 5444 44333 2221110000999988  777  65  5 443  3222  1     
     5  7       0976608 21                                              552 3998 10633 3008207521762265  751  39  1 619  3652  4   3 
     5  2       8299119 54                                              808 6814 46281 8955373568824026  823  97  9 556  4027  1   8 
 
     X  X       XXXXXXX XX                                              XXX XXXX XXXXX XXXXXXXX XXXXXXX  XXX   X  X X X  XXXX  X   X 
                 XX  XX XX                                              X   X  X X   X X     X      XXX  XXX   X      X   XX         
                 XX  XX XX                                              X   X    X           X      XXX  XXX              XX         
                 XX  XX X                                               X                    X      XX   X X               X         
                  X  XX X                                               X                            X     X               X         
                  X  XX X                                               X                            X     X               X         
                      X                                                 X                            X     X                         
                      X                                                 X                            X     X                         
                                                                        X                            X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000019142   -0.000008689   -0.000002759
      2        6           0.000019496   -0.000009202    0.000000084
      3        6          -0.000005228    0.000026183    0.000008564
      4        6          -0.000009708   -0.000006748    0.000002181
      5        6           0.000017954   -0.000014374   -0.000002234
      6        6          -0.000003754    0.000020646    0.000002007
      7        6           0.000013547   -0.000023370   -0.000003121
      8        7          -0.000004167    0.000013031   -0.000006605
      9        6          -0.000000210    0.000004249   -0.000004161
     10        1          -0.000001731   -0.000001449    0.000008296
     11        1          -0.000002998    0.000001177   -0.000001633
     12        1           0.000001379   -0.000000241    0.000001918
     13        1           0.000002069    0.000002363   -0.000000501
     14        1           0.000000902    0.000000221    0.000000946
     15        1           0.000001241   -0.000003242   -0.000003045
     16        1          -0.000001187   -0.000000087   -0.000000091
     17        1          -0.000000722   -0.000000555    0.000000446
     18        1           0.000001207    0.000001662   -0.000002758
     19        1          -0.000002758    0.000000707   -0.000000261
     20        1          -0.000006191   -0.000002281    0.000002726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000026183 RMS     0.000008194
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136077D+03  0.873412D+00  0.238807D+01
      2   0.873412D+00  0.112512D+03  0.407397D+01
      3   0.238807D+01  0.407397D+01  0.758592D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.693072D+00 -0.463740D+00  0.276630D+01
      2   0.116877D+02  0.114656D+02 -0.763477D+01
      3  -0.173205D+00 -0.303456D+02 -0.115671D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.664929D+02  0.310527D+01  0.769193D+01
      2  -0.280536D+02 -0.704429D+01 -0.120865D+02
      3  -0.384392D+02  0.393902D+01  0.439454D+01
      4  -0.143734D+02  0.510102D+02  0.268622D+02
      5   0.195175D+02  0.285865D+02 -0.205152D+02
      6   0.906951D+01  0.562680D+01 -0.741439D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.247448D+01 -0.248744D+00 -0.524288D+00 -0.549903D+01 -0.543647D+00
      2  -0.248744D+00  0.251831D+01  0.710583D+00 -0.543647D+00 -0.724364D+00
      3  -0.524288D+00  0.710583D+00  0.172667D+01 -0.830746D+00  0.105247D+01
                 6             7             8             9            10 
      1  -0.830746D+00 -0.189629D+01 -0.316889D+00  0.282308D+01  0.350206D+01
      2   0.105247D+01 -0.316889D+00  0.148975D+01 -0.330338D+01  0.198006D+01
      3  -0.252971D+01  0.282308D+01 -0.330338D+01 -0.109353D+01  0.684056D+00
                11            12            13            14            15 
      1   0.198006D+01  0.684056D+00 -0.688278D+01 -0.674358D+00  0.220779D+00
      2  -0.297285D+01  0.144038D+00 -0.674358D+00 -0.158249D+01  0.933929D+00
      3   0.144038D+00 -0.149448D+01  0.220779D+00  0.933929D+00 -0.167015D+01
                16            17            18            19            20 
      1   0.702923D-01  0.916677D+00 -0.802303D+00 -0.167199D+02 -0.242166D+01
      2   0.916677D+00  0.593544D+00 -0.310452D+01 -0.242166D+01 -0.266536D+01
      3  -0.802303D+00 -0.310452D+01 -0.227222D+01 -0.716561D+00 -0.208596D+00
                21            22            23            24            25 
      1  -0.716561D+00 -0.310170D+01  0.150658D+01  0.959140D+00 -0.814190D+00
      2  -0.208596D+00  0.150658D+01  0.312919D-01  0.159026D-01  0.817656D+00
      3  -0.215960D+01  0.959140D+00  0.159026D-01 -0.415682D+00 -0.352493D+01
                26            27            28            29            30 
      1   0.817656D+00 -0.352493D+01  0.436289D+01 -0.998668D+00  0.382039D+00
      2   0.403863D-01 -0.502073D+00 -0.998668D+00 -0.321781D+01 -0.752468D+00
      3  -0.502073D+00 -0.146210D+01  0.382039D+00 -0.752468D+00 -0.216213D+01
                31            32            33            34            35 
      1   0.802241D+01  0.627153D-01  0.988749D-01  0.269287D+01 -0.143469D+00
      2   0.627153D-01  0.177150D+01 -0.459806D+00 -0.143469D+00 -0.946214D+00
      3   0.988749D-01 -0.459806D+00  0.202928D+01 -0.160481D+01  0.324749D+01
                36            37            38            39            40 
      1  -0.160481D+01 -0.338103D+01 -0.171087D+00 -0.574490D+00  0.523682D+01
      2   0.324749D+01 -0.171087D+00  0.271870D+01 -0.215001D+00 -0.725313D-01
      3   0.790389D+00 -0.574490D+00 -0.215001D+00  0.114683D+01 -0.260971D+00
                41            42            43            44            45 
      1  -0.725313D-01 -0.260971D+00  0.976576D-01 -0.986688D+00  0.222677D+01
      2   0.106400D+01 -0.931729D+00 -0.986688D+00 -0.977768D+00  0.369454D+01
      3  -0.931729D+00  0.240609D+01  0.222677D+01  0.369454D+01  0.244641D+01
                46            47            48            49            50 
      1   0.566535D+01  0.286112D+00 -0.639059D+00  0.748099D+00 -0.635530D+00
      2   0.286112D+00  0.322156D+01 -0.264041D-01 -0.635530D+00 -0.924570D-01
      3  -0.639059D+00 -0.264041D-01  0.327805D+01 -0.112187D+01 -0.312565D+00
                51            52            53            54            55 
      1  -0.112187D+01 -0.163759D+00 -0.105401D+01  0.524602D+01  0.277308D+01
      2  -0.312565D+00 -0.105401D+01  0.374265D+00  0.867147D-01  0.188379D+01
      3  -0.179260D-01  0.524602D+01  0.867147D-01  0.135700D+01  0.233720D-01
                56            57            58            59            60 
      1   0.188379D+01  0.233720D-01  0.643693D+01  0.459067D+01 -0.115997D+01
      2   0.295772D+01 -0.136677D+01  0.459067D+01  0.960096D+00 -0.384661D+00
      3  -0.136677D+01  0.205385D+01 -0.115997D+01 -0.384661D+00  0.449976D+01
                61            62            63            64            65 
      1  -0.257093D+00 -0.169425D+01  0.387319D+01  0.767296D+01  0.611860D+00
      2  -0.169425D+01 -0.218727D+01  0.429956D+01  0.611860D+00 -0.148523D+01
      3   0.387319D+01  0.429956D+01  0.538775D+01  0.109666D+01  0.118287D+01
                66            67            68            69            70 
      1   0.109666D+01  0.371480D+00 -0.233627D+01  0.157492D+01  0.142015D+01
      2   0.118287D+01 -0.233627D+01  0.290302D+01 -0.126566D+01  0.136419D+01
      3  -0.115095D+00  0.157492D+01 -0.126566D+01 -0.233999D+01 -0.234152D-01
                71            72            73            74            75 
      1   0.136419D+01 -0.234152D-01  0.919363D+01  0.108303D+01  0.171536D+01
      2  -0.100666D+01 -0.145143D+01  0.108303D+01 -0.376079D+01  0.122906D+01
      3  -0.145143D+01 -0.483713D+01  0.171536D+01  0.122906D+01 -0.194073D+01
                76            77            78            79            80 
      1  -0.263708D+01 -0.407124D+01  0.173050D+01  0.504450D+01  0.231542D+01
      2  -0.407124D+01  0.281980D+01  0.868248D+00  0.231542D+01  0.242748D+01
      3   0.173050D+01  0.868248D+00 -0.349357D+01 -0.217998D+01 -0.339264D+01
                81            82            83            84            85 
      1  -0.217998D+01 -0.603305D-01  0.435245D+00  0.464491D+00  0.115297D+01
      2  -0.339264D+01  0.435245D+00  0.962077D-01 -0.312440D+00 -0.658589D+00
      3  -0.440696D+01  0.464491D+00 -0.312440D+00  0.316693D+00 -0.726659D+00
                86            87            88            89            90 
      1  -0.658589D+00 -0.726659D+00  0.191194D+01 -0.106775D+01 -0.994360D+00
      2   0.210194D+01  0.986876D+00 -0.106775D+01  0.220458D+01  0.254333D+01
      3   0.986876D+00  0.253450D+01 -0.994360D+00  0.254333D+01  0.480206D+01
                91            92            93            94            95 
      1  -0.175218D+01 -0.746453D+00 -0.174851D+01 -0.257746D+01 -0.159236D+01
      2  -0.746453D+00 -0.717227D+00 -0.275818D+00 -0.159236D+01 -0.137927D+01
      3  -0.174851D+01 -0.275818D+00 -0.152465D+01 -0.588497D+00 -0.155599D+01
                96            97            98            99           100 
      1  -0.588497D+00 -0.404520D+01 -0.517218D+00 -0.291647D+01 -0.472425D+00
      2  -0.155599D+01 -0.517218D+00 -0.144709D+01 -0.207077D+01  0.750138D-01
      3  -0.235654D+01 -0.291647D+01 -0.207077D+01 -0.763124D+01  0.752675D+00
               101           102           103           104           105 
      1   0.750138D-01  0.752675D+00  0.922312D+00  0.267452D+00 -0.441745D+00
      2   0.591647D+00 -0.115494D+00  0.267452D+00  0.364923D+00  0.101936D+01
      3  -0.115494D+00  0.102770D+01 -0.441745D+00  0.101936D+01  0.212122D+01
               106           107           108           109           110 
      1   0.108270D+01  0.668909D-01 -0.496520D+00  0.923399D+00 -0.986513D+00
      2   0.668909D-01  0.125212D+01  0.547789D+00 -0.986513D+00  0.191648D+01
      3  -0.496520D+00  0.547789D+00  0.744707D+01 -0.347984D+00 -0.439950D+00
               111           112           113           114           115 
      1  -0.347984D+00 -0.179095D+01  0.813459D+00  0.462583D-01 -0.732492D+00
      2  -0.439950D+00  0.813459D+00 -0.819807D+01  0.681211D+00 -0.295282D+00
      3   0.678570D+00  0.462583D-01  0.681211D+00 -0.104268D+01  0.353207D+00
               116           117           118           119           120 
      1  -0.295282D+00  0.353207D+00 -0.132842D+02 -0.255694D+01  0.164593D-01
      2  -0.140958D+00 -0.746999D+00 -0.255694D+01 -0.142232D+01  0.135669D+00
      3  -0.746999D+00  0.444634D+00  0.164593D-01  0.135669D+00 -0.114917D+01
               121           122           123           124           125 
      1  -0.766861D+00 -0.125576D+01 -0.199165D+00 -0.212782D+01 -0.478914D+00
      2  -0.125576D+01 -0.106588D+01 -0.972010D-01 -0.478914D+00 -0.664410D+00
      3  -0.199165D+00 -0.972010D-01  0.242535D+00 -0.113712D+01  0.118865D-02
               126           127           128           129           130 
      1  -0.113712D+01 -0.318292D+01  0.216598D+01 -0.996552D-01  0.230869D+01
      2   0.118865D-02  0.216598D+01 -0.226870D+01 -0.169365D+00 -0.269564D+01
      3   0.382365D-01 -0.996552D-01 -0.169365D+00 -0.191956D+00 -0.199771D+00
               131           132           133           134           135 
      1  -0.269564D+01 -0.199771D+00 -0.300976D+00 -0.934403D-01 -0.166406D-01
      2   0.670707D+01  0.516560D+00 -0.934403D-01  0.521099D+00  0.151956D+00
      3   0.516560D+00  0.745776D+00 -0.166406D-01  0.151956D+00 -0.606235D-01
               136           137           138           139           140 
      1   0.295066D+01  0.305708D+01  0.742883D+00  0.273793D+01  0.414671D+01
      2   0.305708D+01  0.320971D+01  0.748309D+00  0.414671D+01  0.867603D+01
      3   0.742883D+00  0.748309D+00  0.548826D+00  0.846763D+00  0.165218D+01
               141           142           143           144           145 
      1   0.846763D+00  0.783443D+00  0.104608D+01  0.309479D+00  0.134323D+02
      2   0.165218D+01  0.104608D+01  0.190027D+01  0.402512D+00  0.384714D+00
      3   0.109938D+01  0.309479D+00  0.402512D+00  0.277320D+00  0.129027D+01
               146           147           148           149           150 
      1   0.384714D+00  0.129027D+01  0.318886D+00  0.158857D+01  0.335565D+00
      2   0.740847D+00  0.257050D-01  0.158857D+01  0.133611D+00  0.167382D+00
      3   0.257050D-01  0.972413D+00  0.335565D+00  0.167382D+00  0.786928D-01
               151           152           153           154           155 
      1   0.140307D+01  0.355919D+00  0.635722D-01  0.407644D+01 -0.360167D+01
      2   0.355919D+00  0.855626D-01  0.113241D-01 -0.360167D+01  0.360548D+01
      3   0.635722D-01  0.113241D-01  0.993507D-01 -0.347226D+00  0.288397D+00
               156           157           158           159           160 
      1  -0.347226D+00 -0.344722D+01  0.454855D+01  0.661854D+00 -0.340472D+00
      2   0.288397D+00  0.454855D+01 -0.760364D+01 -0.947841D+00  0.523548D+00
      3   0.507420D+00  0.661854D+00 -0.947841D+00 -0.845726D+00  0.986699D-01
               161           162           163           164           165 
      1   0.523548D+00  0.986699D-01 -0.213028D+01 -0.202194D+01 -0.429551D+00
      2  -0.114484D+01 -0.250316D+00 -0.202194D+01 -0.204503D+01 -0.599326D+00
      3  -0.250316D+00 -0.176180D+00 -0.429551D+00 -0.599326D+00 -0.399683D+00
               166           167           168           169           170 
      1  -0.188296D+01 -0.240563D+01 -0.529757D+00 -0.571218D+00 -0.768669D+00
      2  -0.240563D+01 -0.729838D+01 -0.166620D+01 -0.768669D+00 -0.178340D+01
      3  -0.529757D+00 -0.166620D+01 -0.113019D+01 -0.190548D+00 -0.547992D+00
               171           172           173           174           175 
      1  -0.190548D+00 -0.110950D+02  0.179079D+01 -0.174094D+01  0.329497D+00
      2  -0.547992D+00  0.179079D+01 -0.102136D+01  0.169941D-01 -0.583169D+00
      3  -0.389239D+00 -0.174094D+01  0.169941D-01 -0.111952D+01 -0.415507D+00
               176           177           178           179           180 
      1  -0.583169D+00 -0.415507D+00 -0.325711D+01  0.101999D-01 -0.110688D+01
      2   0.411269D+00 -0.272463D+00  0.101999D-01 -0.590468D+00  0.383713D+00
      3  -0.272463D+00  0.849467D-01 -0.110688D+01  0.383713D+00 -0.761003D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111320D+01 -0.356192D+00  0.329912D+01 -0.124706D+01  0.446266D+00
      2  -0.746326D+00  0.231751D+01  0.217170D+01 -0.778593D+00  0.321337D+01
      3  -0.198208D+01 -0.132811D+02 -0.227979D+01  0.489671D+01 -0.827270D+00
                 6             7             8             9            10 
      1  -0.294421D+01  0.647076D+01  0.283971D+01  0.121794D+01 -0.288437D-02
      2  -0.679786D+01 -0.538280D+01 -0.949506D+01 -0.342824D+01  0.327052D+01
      3  -0.244347D+01  0.548993D-01 -0.436759D+01  0.383273D+01 -0.144673D+00
                11            12            13            14            15 
      1   0.960713D+00 -0.279707D+01  0.126441D+01 -0.706019D+00 -0.296505D+01
      2   0.147875D+01 -0.152698D+01  0.938278D+00 -0.122988D+01 -0.139466D+01
      3  -0.170548D+01 -0.173694D+01  0.180738D+01  0.686414D+01 -0.135271D-02
                16            17            18            19            20 
      1  -0.529487D+01  0.222865D+01 -0.114198D+01  0.751815D+00 -0.427869D+00
      2  -0.131452D+02 -0.119064D+01 -0.286821D+01  0.474521D-02 -0.130450D+01
      3  -0.436454D+01 -0.493839D+00  0.544623D+01 -0.657083D+01  0.672598D+01
                21            22            23            24            25 
      1  -0.815734D+00 -0.295552D+01 -0.139874D+01  0.186951D+01  0.970869D+00
      2  -0.161019D+01 -0.132059D+01  0.539495D+00  0.837239D+00 -0.136000D+02
      3   0.369551D+00  0.143540D+02  0.241031D+00  0.501566D+00 -0.168858D+00
                26            27            28            29            30 
      1   0.100442D+02  0.221107D+01 -0.103276D+01 -0.209988D+00  0.323955D+01
      2   0.789070D+00 -0.263727D+00  0.244187D+01  0.772142D-01 -0.133049D+01
      3   0.274013D+01 -0.697031D+00  0.648979D+01 -0.126579D+01  0.141712D+01
                31            32            33            34            35 
      1  -0.761805D+00 -0.182666D+00 -0.286364D+01  0.463001D+01  0.241628D+01
      2   0.335017D+01  0.112473D+01  0.738801D+00 -0.126361D+02  0.346198D+00
      3   0.706261D+01 -0.531927D+01  0.144165D+00  0.200488D+01 -0.167439D+00
                36            37            38            39            40 
      1  -0.622946D-01  0.100495D+01  0.630969D+00 -0.197545D+01  0.100329D+01
      2  -0.676665D+00 -0.160320D+00  0.115634D+01 -0.172305D-01  0.500118D+00
      3  -0.517038D+01 -0.334378D+01 -0.977396D+01 -0.204628D+01  0.609041D+01
                41            42            43            44            45 
      1   0.167848D+00 -0.353829D+01 -0.501832D+01  0.196005D+01 -0.122382D+01
      2  -0.300047D+01  0.697608D+01 -0.728717D+01  0.939752D+01  0.386201D+01
      3  -0.235045D+01  0.179271D+01 -0.176208D+00  0.135108D+01 -0.470289D+01
                46            47            48            49            50 
      1   0.153242D+00 -0.722898D+00 -0.701658D+00 -0.130938D+01 -0.275260D+01
      2  -0.331906D+00 -0.307571D+00  0.979296D+01 -0.336189D+01 -0.423081D+00
      3   0.714374D+00 -0.800052D+01  0.528368D+00  0.107893D+02  0.343300D+01
                51            52            53            54            55 
      1   0.309098D+01 -0.113596D+01  0.108015D+02  0.238236D+01 -0.186024D+01
      2  -0.498169D+00  0.817223D+01  0.210298D+00  0.291773D+01  0.149871D+01
      3   0.205209D+01  0.311723D+01  0.110052D+01  0.931204D+00  0.670341D+01
                56            57            58            59            60 
      1  -0.228465D+00  0.136868D+00 -0.216180D+01 -0.944507D+00  0.112633D+01
      2   0.246878D+01 -0.219047D+01  0.413826D+01  0.250665D+01 -0.701150D+01
      3   0.343944D+01 -0.145613D+01  0.137872D+02 -0.381508D+01  0.632737D+00
                61            62            63            64            65 
      1   0.405996D+01  0.681005D+01 -0.609460D+00 -0.288745D+01 -0.171275D+01
      2  -0.135576D+02 -0.880901D+01 -0.851502D+01  0.362071D+00 -0.196194D+01
      3  -0.171241D+01 -0.541464D+01  0.907022D+01  0.171275D+02 -0.940709D+01
                66            67            68            69            70 
      1   0.609520D+00 -0.100293D+01 -0.116245D+01 -0.265396D+00 -0.406386D+01
      2   0.456985D+01 -0.204181D+01  0.191656D+01  0.544378D+01 -0.366548D+01
      3   0.541380D+01  0.207807D+01  0.617117D+01 -0.205692D+01  0.517408D+01
                71            72            73            74            75 
      1   0.809433D+01  0.946598D+01  0.427337D+01 -0.208656D+01 -0.240935D+01
      2   0.582609D+01  0.110004D+02 -0.118524D+02 -0.512569D+01  0.700268D+01
      3  -0.112503D+01 -0.467449D+01 -0.981158D+01 -0.168513D+02  0.958764D+00
                76            77            78            79            80 
      1   0.552956D+00  0.864545D+01 -0.785862D+01 -0.116476D+01 -0.243196D+01
      2  -0.656090D+01 -0.381242D+00  0.760095D+01  0.170362D+01  0.743615D+01
      3  -0.963768D+01  0.176758D+02  0.213420D+00  0.210326D+01  0.253392D+01
                81            82            83            84            85 
      1  -0.849552D+01 -0.519222D+00  0.650169D+00 -0.360595D+00  0.138836D+01
      2   0.128906D+02 -0.180351D+01  0.105801D+01 -0.508658D+00  0.174829D+01
      3  -0.719178D+01  0.220108D+01  0.653146D+00 -0.144685D+00  0.108962D+01
                86            87            88            89            90 
      1  -0.208929D+01 -0.582272D+01  0.247594D+01 -0.308190D+01 -0.107907D+02
      2  -0.257896D+01 -0.666287D+01  0.108424D+00 -0.669762D+01 -0.113311D+02
      3   0.439339D+01  0.175239D+01  0.624899D+00  0.564107D+01  0.637726D+01
                91            92            93            94            95 
      1  -0.764694D+00  0.115072D+01 -0.422830D+00  0.112034D+01  0.876757D+00
      2   0.182596D+01  0.443474D+00  0.296159D+01 -0.339686D+00  0.169573D+01
      3  -0.166942D+01 -0.370174D+01 -0.447568D+00 -0.159325D+01 -0.185965D+01
                96            97            98            99           100 
      1  -0.113600D+01 -0.125764D+01  0.213504D+01 -0.148389D+01  0.106446D+01
      2   0.423953D+01  0.107912D+01  0.341404D+01  0.126105D+02 -0.219211D+01
      3  -0.353998D+01  0.746736D-01 -0.316514D+01 -0.467884D+01  0.911552D+00
               101           102           103           104           105 
      1   0.105406D+01  0.115668D+01  0.133758D+00  0.235764D+01  0.244135D+01
      2  -0.303794D-01 -0.242296D+01 -0.336441D+00 -0.275596D+01 -0.519524D+01
      3   0.118014D+01 -0.852434D+00  0.138914D+01  0.603985D+00  0.267424D+01
               106           107           108           109           110 
      1  -0.338353D+00  0.490467D+01  0.107895D+02 -0.204748D+01  0.163338D+01
      2  -0.299038D+01 -0.204294D+01 -0.184802D+02 -0.212976D+00  0.155923D+01
      3  -0.119418D+01  0.335950D+01  0.230666D+01 -0.746672D+01  0.722465D+01
               111           112           113           114           115 
      1   0.165903D+01  0.167279D+01 -0.611684D+01 -0.342318D+01  0.870904D+00
      2  -0.105791D+01  0.144148D+01 -0.270725D+01  0.177373D+01 -0.165008D+01
      3   0.460179D-01  0.953779D+01 -0.229808D+02  0.131954D+01  0.129658D+01
               116           117           118           119           120 
      1  -0.260277D+00  0.478465D+00 -0.685150D+00 -0.754943D+00 -0.202892D+01
      2   0.142097D+01 -0.107762D+01  0.784165D+01  0.911292D+00  0.661490D+01
      3  -0.570725D+00 -0.255773D+01  0.107137D+02 -0.435956D+01  0.635462D+00
               121           122           123           124           125 
      1  -0.665468D+00 -0.895480D+00 -0.400450D+00 -0.145895D+01  0.677540D+00
      2   0.141226D+01  0.767727D+00 -0.267645D+00  0.220815D+01 -0.196019D+00
      3  -0.298995D+00 -0.225330D+01 -0.255193D+00  0.425192D+00 -0.121147D+01
               126           127           128           129           130 
      1   0.960083D-01  0.100958D+01 -0.409046D+00  0.149300D+01  0.755421D-02
      2   0.292524D+00  0.147933D+01 -0.196471D+00 -0.279981D-01 -0.513190D+00
      3   0.153545D+01 -0.102025D+02  0.465512D+01 -0.415196D+00  0.795433D+01
               131           132           133           134           135 
      1  -0.297340D-01 -0.337019D+01 -0.322741D+00  0.167535D+01  0.266065D+00
      2   0.846949D+00 -0.840962D+00 -0.156281D+01  0.411529D+00 -0.892609D-01
      3  -0.668773D+01 -0.709783D+00 -0.575974D+00  0.598012D-01 -0.111503D+00
               136           137           138           139           140 
      1  -0.240180D+00 -0.307414D-01 -0.196700D+01 -0.215766D+00  0.355788D+00
      2   0.549805D+00  0.822190D+00  0.210012D+01  0.771338D+00  0.267983D+01
      3  -0.102525D+01 -0.328790D+01 -0.497084D+00 -0.207101D+01 -0.132224D+02
               141           142           143           144           145 
      1  -0.406334D+01  0.571268D+00  0.208904D+01 -0.478982D+00 -0.122376D+00
      2   0.341516D+01 -0.645200D+00 -0.171221D+00  0.583037D+00  0.188099D+01
      3  -0.224957D+01 -0.517177D+00 -0.262984D+01 -0.366717D+00  0.238900D+00
               146           147           148           149           150 
      1   0.416168D+00 -0.196836D+00  0.213622D+00 -0.195049D-01 -0.322326D+00
      2  -0.794241D-01  0.629565D+01  0.135071D+01  0.355768D+00  0.386653D+00
      3  -0.529535D+01  0.176885D+00 -0.394922D+01 -0.233782D+00 -0.418514D+00
               151           152           153           154           155 
      1   0.119297D+00  0.597434D+00  0.401941D-01  0.307080D+00 -0.694535D+00
      2  -0.301314D+01  0.419566D-01  0.414285D+00  0.300567D+00 -0.383687D+00
      3  -0.129158D+01 -0.573634D+00 -0.252703D+00  0.141946D+01 -0.471034D+01
               156           157           158           159           160 
      1   0.209120D+01  0.241031D+00  0.157612D+00 -0.364369D+01 -0.860189D+00
      2   0.232550D+01  0.505696D+00 -0.108421D+01 -0.317515D+01 -0.797164D+00
      3  -0.625355D-01 -0.315974D+01  0.122367D+02  0.113585D+01 -0.804182D+00
               161           162           163           164           165 
      1   0.168091D+01 -0.328369D+00  0.721532D+00  0.394756D+00 -0.162316D+01
      2   0.482906D+00 -0.395232D+00 -0.160346D+01 -0.101968D+01  0.195967D+00
      3   0.218988D+01  0.357135D+00  0.805981D+01  0.471853D+01  0.857252D+00
               166           167           168           169           170 
      1   0.526256D+00  0.954267D+00 -0.367850D+01  0.413656D+00  0.245173D+01
      2  -0.164306D+01 -0.160592D+01  0.485086D+00 -0.199432D+01 -0.634554D+00
      3   0.794925D+01  0.817136D+01  0.192760D+01  0.142016D+01  0.246566D+01
               171           172           173           174           175 
      1  -0.372247D+00  0.198962D+01  0.743063D+00  0.161362D+01  0.100026D+01
      2   0.121363D+00 -0.135812D+01  0.152090D+00  0.459359D+01  0.739559D+00
      3   0.383964D+00 -0.128036D+02 -0.319896D+01 -0.250550D+01 -0.279233D-01
               176           177           178           179           180 
      1   0.300649D+00 -0.164201D+00  0.773870D+00  0.609675D+00  0.806016D-01
      2   0.120181D+00 -0.529721D-01  0.608013D+00 -0.982151D+00  0.124008D+01
      3   0.201650D+00 -0.127870D+01 -0.549073D+01 -0.172222D+01  0.163193D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.283356D+01  0.236968D+02  0.513420D+01 -0.249402D+02  0.678866D+01
      2  -0.481280D+01 -0.137756D+02  0.665518D+00  0.256370D+02 -0.122136D+02
      3   0.197924D+01 -0.992117D+01 -0.579971D+01 -0.696819D+00  0.542495D+01
      4   0.200223D+02  0.174371D+01  0.456090D+01  0.634894D+01  0.129594D+02
      5   0.815071D+00  0.418438D+01  0.476855D+01 -0.250795D+01  0.800888D+01
      6   0.257584D+01 -0.236831D+01 -0.731428D+01  0.660908D+01 -0.606299D+01
                 6             7             8             9            10 
      1   0.187883D+01 -0.766106D+01  0.625779D+01  0.520265D+00  0.843322D+01
      2  -0.194596D+01  0.871433D+01 -0.850267D+01 -0.759539D+01 -0.716023D+01
      3   0.671274D-01 -0.105327D+01  0.224488D+01  0.707512D+01 -0.127299D+01
      4   0.866870D+01  0.208914D+01  0.734387D+01 -0.136637D+02 -0.127404D+02
      5  -0.138483D+02  0.186876D+02 -0.142409D+02 -0.743629D+01 -0.444989D+00
      6   0.695896D+01 -0.684102D+01  0.130832D+02 -0.560900D+00 -0.306135D+01
                11            12            13            14            15 
      1  -0.142574D+02 -0.184896D-01  0.310090D+01  0.774121D+01  0.447744D+01
      2   0.105659D+02 -0.179949D+01 -0.988697D+01 -0.108873D+02 -0.622012D+01
      3   0.369156D+01  0.181798D+01  0.678606D+01  0.314611D+01  0.174268D+01
      4  -0.173865D+02 -0.436125D+01  0.114618D+02 -0.127271D+02 -0.153642D+01
      5  -0.420175D+01 -0.480630D+01  0.979329D+00 -0.152197D+01 -0.124641D+01
      6  -0.256209D+01  0.589666D+01 -0.510397D+01 -0.915171D+01  0.412968D+01
                16            17            18            19            20 
      1   0.226878D+01  0.145214D+01 -0.154339D+02 -0.230172D+02 -0.199095D+00
      2  -0.414832D+01 -0.706141D+01  0.196620D+00  0.851790D+01  0.135320D+00
      3   0.187954D+01  0.560927D+01  0.152373D+02  0.144993D+02  0.637753D-01
      4   0.792744D-01 -0.368795D+01 -0.635534D+01  0.119996D+02  0.291310D+01
      5  -0.980912D-01 -0.524593D+01 -0.613442D+01  0.466118D+00  0.668447D+00
      6   0.321142D+01  0.116900D+02  0.434517D+01 -0.688974D+00 -0.119669D+00
                21            22            23            24            25 
      1   0.335156D+00  0.446030D+00 -0.751208D+01  0.149204D+00 -0.813688D+01
      2  -0.686765D+00 -0.172981D+01  0.135742D+02  0.408188D+01  0.196529D+01
      3   0.351609D+00  0.128378D+01 -0.606214D+01 -0.423108D+01  0.617160D+01
      4   0.109434D+01 -0.104025D+02 -0.294434D+01 -0.160800D+01 -0.307257D+01
      5  -0.869793D+00 -0.373723D+01 -0.969568D+00  0.200096D+01  0.360364D+01
      6   0.439517D+00 -0.225936D+01  0.245906D+01 -0.345005D+01 -0.126372D+01
                26            27            28            29            30 
      1  -0.881880D+00 -0.988536D+01  0.556175D+01  0.167261D+02  0.517914D+01
      2   0.167491D+01 -0.326734D+01 -0.595929D+01 -0.113831D+02 -0.130469D+01
      3  -0.793033D+00  0.131527D+02  0.397539D+00 -0.534301D+01 -0.387445D+01
      4  -0.332002D+01  0.245725D+01  0.793827D+01 -0.110245D+02  0.264324D+00
      5   0.198615D+01 -0.555284D-01  0.195200D+01  0.179761D+00 -0.175942D+01
      6   0.575816D+01 -0.278004D+01  0.311333D+01 -0.275897D+01 -0.658552D+01
                31            32            33            34            35 
      1  -0.187455D+01  0.269962D+01  0.236893D+01 -0.517360D+00  0.372999D+01
      2   0.108215D+02 -0.737623D+01 -0.232639D+01  0.284033D+01 -0.547946D+01
      3  -0.894696D+01  0.467660D+01 -0.425421D-01 -0.232297D+01  0.174948D+01
      4   0.461668D+01  0.145112D+02  0.182548D+01  0.651849D+00 -0.166669D+01
      5   0.152863D+01  0.168370D+01  0.534055D+00  0.356775D+01  0.391033D+01
      6   0.510798D+01 -0.336532D+01  0.705356D+01 -0.226595D+01  0.134656D+02
                36            37            38            39            40 
      1  -0.146948D+02  0.430841D+01 -0.220699D+02 -0.253669D+01  0.243987D+02
      2   0.199255D+01 -0.322394D+01  0.137929D+02  0.988326D+00 -0.240093D+02
      3   0.127022D+02 -0.108447D+01  0.827705D+01  0.154837D+01 -0.389384D+00
      4   0.385079D+01 -0.135864D+02 -0.654946D+01 -0.513467D+01  0.746713D+01
      5  -0.166848D+01 -0.423165D+01 -0.493666D+01 -0.179756D+01 -0.141328D+01
      6   0.466315D+00 -0.555655D+01 -0.207737D+01  0.486153D+01 -0.516938D+01
                41            42            43            44            45 
      1   0.105510D+02  0.153847D+01  0.231694D+01 -0.293187D+01 -0.464698D+01
      2  -0.152580D+02 -0.612615D+01 -0.621726D+01 -0.497835D+01 -0.607500D+01
      3   0.470698D+01  0.458767D+01  0.390032D+01  0.791022D+01  0.107220D+02
      4  -0.477019D+01 -0.624454D+01 -0.550745D+01 -0.999174D+01  0.138811D+02
      5  -0.619328D+01  0.143211D+02  0.141116D+02  0.145660D+02  0.762199D+01
      6  -0.948052D+01  0.648149D+01  0.560393D+01  0.139278D+02  0.331229D+01
                46            47            48            49            50 
      1  -0.128711D+02 -0.952764D+00 -0.749356D+01  0.408427D+01 -0.214264D+02
      2   0.665827D+01  0.809596D+00  0.371433D+01 -0.253354D+01  0.196440D+02
      3   0.621284D+01  0.143168D+00  0.377923D+01 -0.155073D+01  0.178240D+01
      4  -0.126530D+01  0.238771D+02  0.337787D-03 -0.218357D+02 -0.677193D+01
      5  -0.900387D+01 -0.134170D+00  0.212641D+02 -0.103226D+02 -0.284025D+01
      6   0.497264D+00  0.610631D+00  0.144222D+01 -0.287982D+01  0.421836D+01
                51            52            53            54            55 
      1  -0.598262D+01 -0.798045D+01 -0.648882D+01  0.124871D+02  0.166900D+02
      2   0.923438D+01  0.254078D+01  0.497146D+01 -0.169993D+02 -0.689204D+01
      3  -0.325176D+01  0.543967D+01  0.151736D+01  0.451220D+01 -0.979797D+01
      4  -0.354047D+01 -0.113707D+02  0.101071D+01 -0.665200D+00 -0.696962D+01
      5  -0.104087D+01  0.353246D+02  0.822206D-01  0.612395D+01 -0.792129D-01
      6  -0.605018D+01  0.186769D+00  0.643334D+01 -0.386570D+01  0.232446D+00
                56            57            58            59            60 
      1   0.505283D+00  0.253260D+00  0.136170D+00 -0.757211D+01  0.146070D+01
      2   0.310185D+01  0.310389D+00  0.590953D+01  0.358023D+01 -0.619557D+00
      3  -0.360713D+01 -0.563649D+00 -0.604570D+01  0.399188D+01 -0.841142D+00
      4  -0.192967D+02  0.528646D+01 -0.293144D+02 -0.324301D+01  0.324729D+01
      5   0.584252D+01 -0.133175D+02  0.939749D+01  0.227901D+01 -0.190846D+02
      6   0.147104D+01 -0.184064D+01  0.355416D+01  0.700994D+01 -0.115462D+02
                61            62            63            64            65 
      1   0.125557D+02  0.679909D+01 -0.562572D-01 -0.386522D+02  0.567412D+01
      2   0.202179D+01  0.161625D+01  0.980644D+01  0.243457D+02 -0.713882D+01
      3  -0.145774D+02 -0.841534D+01 -0.975019D+01  0.143064D+02  0.146470D+01
      4   0.120044D+02  0.126574D+02 -0.231606D+02  0.817299D+01  0.141187D+02
      5  -0.203778D+02 -0.212464D+02 -0.218341D+02 -0.119983D+02 -0.589816D+01
      6  -0.111990D+02 -0.469456D+01 -0.636748D+01  0.215628D+01  0.414659D+01
                66            67            68            69            70 
      1  -0.105251D+02 -0.882553D-01 -0.200613D+01 -0.170630D+01 -0.101631D+02
      2   0.708624D+01 -0.426201D+01  0.159343D+02 -0.284272D+00  0.790012D+01
      3   0.343882D+01  0.435027D+01 -0.139282D+02  0.199057D+01  0.226299D+01
      4  -0.460266D+01  0.201829D+02 -0.188509D+02  0.747010D+01 -0.680525D+01
      5   0.552559D+01 -0.114712D+02  0.690214D+01  0.102065D+02  0.327509D+01
      6  -0.232385D+01  0.338372D+01 -0.860610D+01  0.198031D+01  0.191538D+01
                71            72            73            74            75 
      1   0.669070D+00 -0.112994D+01 -0.578673D+02 -0.178445D+02 -0.212824D+01
      2  -0.119236D+01 -0.720838D+01  0.237769D+02  0.163274D+02  0.434348D+01
      3   0.523287D+00  0.833831D+01  0.340903D+02  0.151714D+01 -0.221524D+01
      4   0.733336D+01  0.776826D+01 -0.210683D+02  0.151597D+02 -0.671379D+01
      5   0.729349D+01  0.229785D+02 -0.262448D+01 -0.387170D+01  0.113405D+02
      6  -0.405855D+00 -0.164496D+02 -0.452780D+01 -0.567447D+01  0.428815D+01
                76            77            78            79            80 
      1  -0.863996D+01  0.209055D+02  0.258094D+01 -0.122589D+02 -0.337501D+00
      2   0.810249D+01 -0.237970D+02  0.641641D+01  0.554470D+01  0.263829D+01
      3   0.537472D+00  0.289149D+01 -0.899735D+01  0.671417D+01 -0.230079D+01
      4   0.193570D+02 -0.516985D+01 -0.522650D+01 -0.161768D+02 -0.120201D+02
      5  -0.930568D+01 -0.807465D+01  0.163695D+02  0.146977D+02  0.175124D+02
      6  -0.638560D+01 -0.402106D+01  0.877326D+01  0.788658D+01  0.884603D+01
                81            82            83            84            85 
      1   0.129959D+02  0.148306D+01 -0.321300D+01 -0.197192D+01 -0.514402D+01
      2   0.910893D+01 -0.507285D+00  0.103835D+01  0.188204D+00  0.153624D+01
      3  -0.221048D+02 -0.975779D+00  0.217465D+01  0.178372D+01  0.360777D+01
      4   0.212940D+02 -0.355177D+01  0.759004D+00  0.294180D+01  0.591456D+01
      5   0.167455D+02 -0.256183D+01  0.225251D+01 -0.118376D-01  0.438732D+01
      6   0.102853D+01  0.174721D+01 -0.128760D+01  0.545051D+00 -0.246542D+01
                86            87            88            89            90 
      1  -0.330294D+01  0.264731D+00 -0.677247D+01 -0.100378D+01 -0.579218D+01
      2   0.440685D+01  0.201593D+01  0.284577D+01  0.273419D+01  0.239315D+01
      3  -0.110391D+01 -0.228066D+01  0.392670D+01 -0.173041D+01  0.339903D+01
      4  -0.101711D+02 -0.592126D+01  0.849123D+01 -0.115911D+02 -0.124112D+02
      5  -0.512917D+01 -0.129974D+02  0.676897D+01 -0.126883D+02 -0.233993D+02
      6   0.453680D+01  0.108252D+02 -0.345122D+01  0.105007D+02  0.158639D+02
                91            92            93            94            95 
      1   0.455736D+01  0.119641D+01  0.417584D+01  0.887932D+00 -0.270563D+01
      2  -0.646658D+01 -0.129452D+01 -0.460185D+01 -0.242080D+01 -0.449100D+00
      3   0.190923D+01  0.981174D-01  0.426010D+00  0.153287D+01  0.315473D+01
      4   0.453597D+01  0.708916D+01  0.263056D+01  0.982442D+01  0.656592D+01
      5   0.976513D+01  0.266650D+01  0.131969D+02  0.375337D+01  0.659906D+01
      6   0.324653D+01  0.166390D+00  0.205258D+01  0.221328D+01  0.464302D+01
                96            97            98            99           100 
      1  -0.286296D+01  0.242236D+01 -0.344380D+01 -0.108551D+02  0.376418D+01
      2  -0.812329D+00 -0.857691D+01 -0.259350D+01 -0.151369D+02 -0.434963D+01
      3   0.367529D+01  0.615455D+01  0.603730D+01  0.259920D+02  0.585454D+00
      4   0.702014D+01  0.324130D+01  0.689777D+01  0.986279D+01  0.106021D+01
      5   0.102289D+02  0.188374D+02  0.934054D+01  0.328726D+02 -0.302983D+01
      6   0.101090D+02  0.507106D+01  0.701649D+01  0.122204D+02 -0.749533D-01
               101           102           103           104           105 
      1   0.144785D+01 -0.660366D+01 -0.187144D+01 -0.460432D+01 -0.217905D+01
      2  -0.179507D+01  0.739372D+00  0.152565D+01  0.868917D+00 -0.582838D+01
      3   0.347219D+00  0.586428D+01  0.345792D+00  0.373540D+01  0.800744D+01
      4  -0.178443D+01 -0.728593D+00 -0.586457D+00 -0.290392D+01 -0.493326D+01
      5   0.790370D+00  0.590781D+00  0.382012D+01 -0.365378D+01 -0.957896D+01
      6   0.163987D+01 -0.134347D+01  0.165798D+00  0.181592D+01  0.301735D+01
               106           107           108           109           110 
      1  -0.563885D+01 -0.374508D+00 -0.175435D+02 -0.271499D+01  0.981464D+01
      2   0.395222D+01 -0.409167D+01 -0.178939D+02  0.550545D+01 -0.107911D+02
      3   0.168662D+01  0.446617D+01  0.354374D+02 -0.279046D+01  0.976460D+00
      4  -0.229766D+01 -0.657910D+01 -0.510590D+01  0.119798D+01 -0.321043D+01
      5   0.770065D+01 -0.252846D+01 -0.313605D+02  0.215286D+01 -0.158827D+00
      6   0.763062D+00  0.388982D+01 -0.967010D+01 -0.273250D-01  0.258160D+01
               111           112           113           114           115 
      1  -0.596061D+00  0.978414D+01 -0.275941D+02  0.242234D+01  0.177410D+01
      2  -0.334736D+00 -0.774663D+01  0.415199D+02 -0.147577D+01 -0.121609D+01
      3   0.930797D+00 -0.203751D+01 -0.139257D+02 -0.946566D+00 -0.558014D+00
      4   0.154625D+01  0.368433D+01  0.308894D+02 -0.283060D+01  0.226997D+01
      5  -0.223763D+01 -0.275150D+01 -0.503700D+00  0.380622D+01 -0.255566D+00
      6  -0.274956D+01  0.823556D+00 -0.886306D+01  0.658361D+01 -0.182306D+01
               116           117           118           119           120 
      1   0.122991D+01 -0.597872D+01  0.832224D+02  0.120230D+02  0.247787D+01
      2   0.379497D+00  0.323986D+01 -0.389049D+02 -0.284524D+01  0.252261D+00
      3  -0.160940D+01  0.273887D+01 -0.443174D+02 -0.917772D+01 -0.273013D+01
      4   0.137111D+01  0.141289D+01  0.356128D+02  0.170031D+02 -0.438942D-01
      5   0.217333D+01 -0.121085D+01 -0.962117D+01 -0.206979D+01  0.107314D+02
      6   0.663129D+01 -0.119286D+01 -0.470935D+00 -0.156581D+01  0.383465D+01
               121           122           123           124           125 
      1   0.322572D+01  0.569341D+01  0.162444D+00  0.970825D+01  0.865857D+00
      2   0.144181D+01  0.681698D+00 -0.477246D+00 -0.383030D+01  0.300556D+00
      3  -0.466753D+01 -0.637510D+01  0.314802D+00 -0.587795D+01 -0.116641D+01
      4   0.137601D+02  0.838610D+01  0.670001D+00  0.463032D+01  0.383048D+01
      5   0.263753D+00 -0.949710D-01 -0.574155D+00  0.104256D+02  0.713077D+00
      6  -0.940967D+00 -0.508526D+00  0.834374D+00  0.339888D+01  0.995942D+00
               126           127           128           129           130 
      1   0.610795D+01 -0.378611D+01  0.661214D+01  0.935690D+00  0.812503D+01
      2  -0.544748D+01  0.617833D+01 -0.946663D+01 -0.750327D+00 -0.112095D+02
      3  -0.660473D+00 -0.239222D+01  0.285449D+01 -0.185364D+00  0.308445D+01
      4   0.171358D+01 -0.789614D+01  0.653163D+01  0.687034D+00  0.695531D+01
      5   0.114908D+00 -0.753961D-01  0.951039D+00  0.606739D+00  0.839134D+00
      6   0.536414D+00 -0.577230D+00 -0.337649D+00 -0.162681D+01 -0.806750D+00
               131           132           133           134           135 
      1  -0.240767D+02 -0.234318D+01  0.450854D+00 -0.176667D+01 -0.786472D+00
      2   0.327922D+02  0.194783D+01 -0.924975D+00  0.242235D+01  0.160227D+01
      3  -0.871549D+01  0.395346D+00  0.474121D+00 -0.655681D+00 -0.815797D+00
      4  -0.623176D+01 -0.268147D+00  0.962095D-01 -0.182581D+00 -0.156619D+01
      5  -0.822356D+00 -0.110497D+01  0.778781D+00 -0.873145D+00 -0.189250D+00
      6   0.278589D+01  0.522309D+01 -0.906048D+00  0.200427D+01  0.176699D+00
               136           137           138           139           140 
      1   0.869075D+01  0.674803D+01  0.123151D+01  0.976806D+00 -0.102319D+02
      2   0.219884D+01  0.455016D+01  0.159172D+00  0.109353D+02  0.317529D+02
      3  -0.108896D+02 -0.112982D+02 -0.139068D+01 -0.119121D+02 -0.215210D+02
      4   0.231810D+02  0.264136D+02  0.538072D+01  0.280625D+02  0.480552D+02
      5   0.493521D+01  0.511977D+01  0.515042D+01  0.531032D+01  0.819565D+01
      6   0.365789D+01  0.416956D+01  0.322807D+01  0.519965D+01  0.106560D+02
               141           142           143           144           145 
      1  -0.206269D+01  0.102310D+01 -0.126115D+01 -0.958247D+00  0.102345D+03
      2   0.393187D+01  0.154978D+01  0.518365D+01  0.222904D+01 -0.586836D+02
      3  -0.186917D+01 -0.257288D+01 -0.392250D+01 -0.127079D+01 -0.436615D+02
      4   0.882804D+01  0.712138D+01  0.107925D+02  0.378592D+01  0.413582D+01
      5   0.597777D+01  0.241342D+01  0.298686D+01  0.225381D+01  0.121644D+02
      6   0.801102D+01  0.236117D+01  0.407116D+01  0.287704D+01 -0.191322D+01
               146           147           148           149           150 
      1   0.292896D+01  0.821187D+01  0.196354D+01  0.933419D+01  0.133744D+01
      2  -0.145532D+01 -0.562044D+01 -0.924021D+00 -0.457750D+01 -0.114719D+01
      3  -0.147364D+01 -0.259143D+01 -0.103952D+01 -0.475669D+01 -0.190252D+00
      4   0.848566D+01  0.145243D+00  0.148591D+02  0.115878D+01  0.138564D+01
      5   0.165104D+00  0.107461D+02  0.275542D+01  0.141861D+01  0.599345D+00
      6   0.553474D+00 -0.238664D-01  0.102356D+01 -0.722191D-01  0.146492D+01
               151           152           153           154           155 
      1   0.102026D+02  0.155494D+01  0.367070D+01  0.158226D+02 -0.105088D+02
      2  -0.595125D+01 -0.923477D+00 -0.216893D+01 -0.464277D+00 -0.348310D+01
      3  -0.425136D+01 -0.631464D+00 -0.150176D+01 -0.153584D+02  0.139919D+02
      4   0.291081D+01  0.111670D+01  0.512288D+00 -0.293684D+02  0.300576D+02
      5   0.286546D+01  0.284442D+00  0.185028D+01 -0.374636D+01  0.282671D+01
      6   0.979842D-02  0.490908D+00  0.291989D+00  0.131566D+01 -0.106126D+01
               156           157           158           159           160 
      1  -0.142213D+01 -0.577133D+01 -0.153228D+01 -0.592099D-01  0.410827D+00
      2   0.356648D+00 -0.908240D+01  0.235168D+02  0.124423D+01 -0.163788D+01
      3   0.106548D+01  0.148537D+02 -0.219845D+02 -0.118502D+01  0.122705D+01
      4   0.258138D+01  0.329849D+02 -0.477692D+02 -0.566417D+01  0.365732D+01
      5   0.497997D+01  0.485953D+01 -0.643512D+01 -0.549443D+01  0.206271D+01
      6  -0.286913D+01 -0.313682D+01  0.498101D+01  0.611730D+01 -0.160445D+01
               161           162           163           164           165 
      1  -0.113682D+01 -0.386983D+00 -0.523951D+01 -0.762050D+01 -0.280301D+01
      2   0.328610D+01  0.155142D+01  0.646222D+01  0.887194D+01  0.175100D+01
      3  -0.214928D+01 -0.116444D+01 -0.122272D+01 -0.125144D+01  0.105201D+01
      4  -0.585939D+01 -0.299454D+01  0.521492D+01  0.696639D+01  0.126807D+01
      5  -0.198068D+01 -0.950822D+00  0.424613D+00  0.853220D+00  0.153996D+01
      6   0.249446D+01  0.142932D+01  0.267861D+01  0.401487D+01  0.277738D+01
               166           167           168           169           170 
      1  -0.815917D+01 -0.284698D+02 -0.730459D+01 -0.237863D+01 -0.659029D+01
      2   0.101703D+02  0.362623D+02  0.647918D+01  0.249460D+01  0.753473D+01
      3  -0.201117D+01 -0.779251D+01  0.825406D+00 -0.115972D+00 -0.944442D+00
      4   0.581980D+01  0.198924D+01  0.616518D-01  0.155854D+01  0.781534D+00
      5   0.561711D+00 -0.677288D+00  0.432574D+00  0.110451D+01  0.709786D+00
      6   0.338312D+01  0.115910D+02  0.796612D+01  0.145536D+01  0.462952D+01
               171           172           173           174           175 
      1  -0.296581D+01  0.678725D+02 -0.954280D+01  0.113484D+02 -0.122259D+01
      2   0.312360D+01 -0.369374D+02  0.365297D+01 -0.704869D+01 -0.111035D+01
      3  -0.157785D+00 -0.309351D+02  0.588984D+01 -0.429970D+01  0.233295D+01
      4   0.206168D+01 -0.257521D+02  0.106454D+02 -0.272856D+01  0.691713D+01
      5   0.111877D+01  0.171298D+02 -0.115529D+01  0.102182D+02  0.305335D+01
      6   0.316964D+01 -0.432271D+01  0.459170D+00 -0.268869D+01  0.722370D-01
               176           177           178           179           180 
      1   0.231309D+01  0.314316D+01  0.167822D+02  0.942335D+00  0.475955D+01
      2   0.400523D-01 -0.265639D+01 -0.114588D+02 -0.635083D+00 -0.402406D+01
      3  -0.235314D+01 -0.486768D+00 -0.532339D+01 -0.307252D+00 -0.735488D+00
      4  -0.208843D+01  0.984390D+00 -0.357142D+01  0.176325D+01 -0.267794D+01
      5   0.182907D+01  0.493224D+00  0.105835D+02 -0.188141D+01  0.494713D+01
      6  -0.491598D+00  0.137635D+01 -0.163552D+01  0.168349D+01 -0.756991D+00
 Leave Link  716 at Thu Aug 12 22:09:13 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136077D+03  0.873412D+00  0.238807D+01
      2   0.873412D+00  0.112512D+03  0.407397D+01
      3   0.238807D+01  0.407397D+01  0.758592D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.693072D+00 -0.463740D+00  0.276630D+01
      2   0.116877D+02  0.114656D+02 -0.763477D+01
      3  -0.173205D+00 -0.303456D+02 -0.115671D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.664929D+02  0.310527D+01  0.769193D+01
      2  -0.280536D+02 -0.704429D+01 -0.120865D+02
      3  -0.384392D+02  0.393902D+01  0.439454D+01
      4  -0.143734D+02  0.510102D+02  0.268622D+02
      5   0.195175D+02  0.285865D+02 -0.205152D+02
      6   0.906951D+01  0.562680D+01 -0.741439D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.247448D+01 -0.248744D+00 -0.524288D+00 -0.549903D+01 -0.543647D+00
      2  -0.248744D+00  0.251831D+01  0.710583D+00 -0.543647D+00 -0.724364D+00
      3  -0.524288D+00  0.710583D+00  0.172667D+01 -0.830746D+00  0.105247D+01
                 6             7             8             9            10 
      1  -0.830746D+00 -0.189629D+01 -0.316889D+00  0.282308D+01  0.350206D+01
      2   0.105247D+01 -0.316889D+00  0.148975D+01 -0.330338D+01  0.198006D+01
      3  -0.252971D+01  0.282308D+01 -0.330338D+01 -0.109353D+01  0.684056D+00
                11            12            13            14            15 
      1   0.198006D+01  0.684056D+00 -0.688278D+01 -0.674358D+00  0.220779D+00
      2  -0.297285D+01  0.144038D+00 -0.674358D+00 -0.158249D+01  0.933929D+00
      3   0.144038D+00 -0.149448D+01  0.220779D+00  0.933929D+00 -0.167015D+01
                16            17            18            19            20 
      1   0.702923D-01  0.916677D+00 -0.802303D+00 -0.167199D+02 -0.242166D+01
      2   0.916677D+00  0.593544D+00 -0.310452D+01 -0.242166D+01 -0.266536D+01
      3  -0.802303D+00 -0.310452D+01 -0.227222D+01 -0.716561D+00 -0.208596D+00
                21            22            23            24            25 
      1  -0.716561D+00 -0.310170D+01  0.150658D+01  0.959140D+00 -0.814190D+00
      2  -0.208596D+00  0.150658D+01  0.312919D-01  0.159026D-01  0.817656D+00
      3  -0.215960D+01  0.959140D+00  0.159026D-01 -0.415682D+00 -0.352493D+01
                26            27            28            29            30 
      1   0.817656D+00 -0.352493D+01  0.436289D+01 -0.998668D+00  0.382039D+00
      2   0.403863D-01 -0.502073D+00 -0.998668D+00 -0.321781D+01 -0.752468D+00
      3  -0.502073D+00 -0.146210D+01  0.382039D+00 -0.752468D+00 -0.216213D+01
                31            32            33            34            35 
      1   0.802241D+01  0.627153D-01  0.988749D-01  0.269287D+01 -0.143469D+00
      2   0.627153D-01  0.177150D+01 -0.459806D+00 -0.143469D+00 -0.946214D+00
      3   0.988749D-01 -0.459806D+00  0.202928D+01 -0.160481D+01  0.324749D+01
                36            37            38            39            40 
      1  -0.160481D+01 -0.338103D+01 -0.171087D+00 -0.574490D+00  0.523682D+01
      2   0.324749D+01 -0.171087D+00  0.271870D+01 -0.215001D+00 -0.725313D-01
      3   0.790389D+00 -0.574490D+00 -0.215001D+00  0.114683D+01 -0.260971D+00
                41            42            43            44            45 
      1  -0.725313D-01 -0.260971D+00  0.976576D-01 -0.986688D+00  0.222677D+01
      2   0.106400D+01 -0.931729D+00 -0.986688D+00 -0.977768D+00  0.369454D+01
      3  -0.931729D+00  0.240609D+01  0.222677D+01  0.369454D+01  0.244641D+01
                46            47            48            49            50 
      1   0.566535D+01  0.286112D+00 -0.639059D+00  0.748099D+00 -0.635530D+00
      2   0.286112D+00  0.322156D+01 -0.264041D-01 -0.635530D+00 -0.924570D-01
      3  -0.639059D+00 -0.264041D-01  0.327805D+01 -0.112187D+01 -0.312565D+00
                51            52            53            54            55 
      1  -0.112187D+01 -0.163759D+00 -0.105401D+01  0.524602D+01  0.277308D+01
      2  -0.312565D+00 -0.105401D+01  0.374265D+00  0.867147D-01  0.188379D+01
      3  -0.179260D-01  0.524602D+01  0.867147D-01  0.135700D+01  0.233720D-01
                56            57            58            59            60 
      1   0.188379D+01  0.233720D-01  0.643693D+01  0.459067D+01 -0.115997D+01
      2   0.295772D+01 -0.136677D+01  0.459067D+01  0.960096D+00 -0.384661D+00
      3  -0.136677D+01  0.205385D+01 -0.115997D+01 -0.384661D+00  0.449976D+01
                61            62            63            64            65 
      1  -0.257093D+00 -0.169425D+01  0.387319D+01  0.767296D+01  0.611860D+00
      2  -0.169425D+01 -0.218727D+01  0.429956D+01  0.611860D+00 -0.148523D+01
      3   0.387319D+01  0.429956D+01  0.538775D+01  0.109666D+01  0.118287D+01
                66            67            68            69            70 
      1   0.109666D+01  0.371480D+00 -0.233627D+01  0.157492D+01  0.142015D+01
      2   0.118287D+01 -0.233627D+01  0.290302D+01 -0.126566D+01  0.136419D+01
      3  -0.115095D+00  0.157492D+01 -0.126566D+01 -0.233999D+01 -0.234152D-01
                71            72            73            74            75 
      1   0.136419D+01 -0.234152D-01  0.919363D+01  0.108303D+01  0.171536D+01
      2  -0.100666D+01 -0.145143D+01  0.108303D+01 -0.376079D+01  0.122906D+01
      3  -0.145143D+01 -0.483713D+01  0.171536D+01  0.122906D+01 -0.194073D+01
                76            77            78            79            80 
      1  -0.263708D+01 -0.407124D+01  0.173050D+01  0.504450D+01  0.231542D+01
      2  -0.407124D+01  0.281980D+01  0.868248D+00  0.231542D+01  0.242748D+01
      3   0.173050D+01  0.868248D+00 -0.349357D+01 -0.217998D+01 -0.339264D+01
                81            82            83            84            85 
      1  -0.217998D+01 -0.603305D-01  0.435245D+00  0.464491D+00  0.115297D+01
      2  -0.339264D+01  0.435245D+00  0.962077D-01 -0.312440D+00 -0.658589D+00
      3  -0.440696D+01  0.464491D+00 -0.312440D+00  0.316693D+00 -0.726659D+00
                86            87            88            89            90 
      1  -0.658589D+00 -0.726659D+00  0.191194D+01 -0.106775D+01 -0.994360D+00
      2   0.210194D+01  0.986876D+00 -0.106775D+01  0.220458D+01  0.254333D+01
      3   0.986876D+00  0.253450D+01 -0.994360D+00  0.254333D+01  0.480206D+01
                91            92            93            94            95 
      1  -0.175218D+01 -0.746453D+00 -0.174851D+01 -0.257746D+01 -0.159236D+01
      2  -0.746453D+00 -0.717227D+00 -0.275818D+00 -0.159236D+01 -0.137927D+01
      3  -0.174851D+01 -0.275818D+00 -0.152465D+01 -0.588497D+00 -0.155599D+01
                96            97            98            99           100 
      1  -0.588497D+00 -0.404520D+01 -0.517218D+00 -0.291647D+01 -0.472425D+00
      2  -0.155599D+01 -0.517218D+00 -0.144709D+01 -0.207077D+01  0.750138D-01
      3  -0.235654D+01 -0.291647D+01 -0.207077D+01 -0.763124D+01  0.752675D+00
               101           102           103           104           105 
      1   0.750138D-01  0.752675D+00  0.922312D+00  0.267452D+00 -0.441745D+00
      2   0.591647D+00 -0.115494D+00  0.267452D+00  0.364923D+00  0.101936D+01
      3  -0.115494D+00  0.102770D+01 -0.441745D+00  0.101936D+01  0.212122D+01
               106           107           108           109           110 
      1   0.108270D+01  0.668909D-01 -0.496520D+00  0.923399D+00 -0.986513D+00
      2   0.668909D-01  0.125212D+01  0.547789D+00 -0.986513D+00  0.191648D+01
      3  -0.496520D+00  0.547789D+00  0.744707D+01 -0.347984D+00 -0.439950D+00
               111           112           113           114           115 
      1  -0.347984D+00 -0.179095D+01  0.813459D+00  0.462583D-01 -0.732492D+00
      2  -0.439950D+00  0.813459D+00 -0.819807D+01  0.681211D+00 -0.295282D+00
      3   0.678570D+00  0.462583D-01  0.681211D+00 -0.104268D+01  0.353207D+00
               116           117           118           119           120 
      1  -0.295282D+00  0.353207D+00 -0.132842D+02 -0.255694D+01  0.164593D-01
      2  -0.140958D+00 -0.746999D+00 -0.255694D+01 -0.142232D+01  0.135669D+00
      3  -0.746999D+00  0.444634D+00  0.164593D-01  0.135669D+00 -0.114917D+01
               121           122           123           124           125 
      1  -0.766861D+00 -0.125576D+01 -0.199165D+00 -0.212782D+01 -0.478914D+00
      2  -0.125576D+01 -0.106588D+01 -0.972010D-01 -0.478914D+00 -0.664410D+00
      3  -0.199165D+00 -0.972010D-01  0.242535D+00 -0.113712D+01  0.118865D-02
               126           127           128           129           130 
      1  -0.113712D+01 -0.318292D+01  0.216598D+01 -0.996552D-01  0.230869D+01
      2   0.118865D-02  0.216598D+01 -0.226870D+01 -0.169365D+00 -0.269564D+01
      3   0.382365D-01 -0.996552D-01 -0.169365D+00 -0.191956D+00 -0.199771D+00
               131           132           133           134           135 
      1  -0.269564D+01 -0.199771D+00 -0.300976D+00 -0.934403D-01 -0.166406D-01
      2   0.670707D+01  0.516560D+00 -0.934403D-01  0.521099D+00  0.151956D+00
      3   0.516560D+00  0.745776D+00 -0.166406D-01  0.151956D+00 -0.606235D-01
               136           137           138           139           140 
      1   0.295066D+01  0.305708D+01  0.742883D+00  0.273793D+01  0.414671D+01
      2   0.305708D+01  0.320971D+01  0.748309D+00  0.414671D+01  0.867603D+01
      3   0.742883D+00  0.748309D+00  0.548826D+00  0.846763D+00  0.165218D+01
               141           142           143           144           145 
      1   0.846763D+00  0.783443D+00  0.104608D+01  0.309479D+00  0.134323D+02
      2   0.165218D+01  0.104608D+01  0.190027D+01  0.402512D+00  0.384714D+00
      3   0.109938D+01  0.309479D+00  0.402512D+00  0.277320D+00  0.129027D+01
               146           147           148           149           150 
      1   0.384714D+00  0.129027D+01  0.318886D+00  0.158857D+01  0.335565D+00
      2   0.740847D+00  0.257050D-01  0.158857D+01  0.133611D+00  0.167382D+00
      3   0.257050D-01  0.972413D+00  0.335565D+00  0.167382D+00  0.786928D-01
               151           152           153           154           155 
      1   0.140307D+01  0.355919D+00  0.635722D-01  0.407644D+01 -0.360167D+01
      2   0.355919D+00  0.855626D-01  0.113241D-01 -0.360167D+01  0.360548D+01
      3   0.635722D-01  0.113241D-01  0.993507D-01 -0.347226D+00  0.288397D+00
               156           157           158           159           160 
      1  -0.347226D+00 -0.344722D+01  0.454855D+01  0.661854D+00 -0.340472D+00
      2   0.288397D+00  0.454855D+01 -0.760364D+01 -0.947841D+00  0.523548D+00
      3   0.507420D+00  0.661854D+00 -0.947841D+00 -0.845726D+00  0.986699D-01
               161           162           163           164           165 
      1   0.523548D+00  0.986699D-01 -0.213028D+01 -0.202194D+01 -0.429551D+00
      2  -0.114484D+01 -0.250316D+00 -0.202194D+01 -0.204503D+01 -0.599326D+00
      3  -0.250316D+00 -0.176180D+00 -0.429551D+00 -0.599326D+00 -0.399683D+00
               166           167           168           169           170 
      1  -0.188296D+01 -0.240563D+01 -0.529757D+00 -0.571218D+00 -0.768669D+00
      2  -0.240563D+01 -0.729838D+01 -0.166620D+01 -0.768669D+00 -0.178340D+01
      3  -0.529757D+00 -0.166620D+01 -0.113019D+01 -0.190548D+00 -0.547992D+00
               171           172           173           174           175 
      1  -0.190548D+00 -0.110950D+02  0.179079D+01 -0.174094D+01  0.329497D+00
      2  -0.547992D+00  0.179079D+01 -0.102136D+01  0.169941D-01 -0.583169D+00
      3  -0.389239D+00 -0.174094D+01  0.169941D-01 -0.111952D+01 -0.415507D+00
               176           177           178           179           180 
      1  -0.583169D+00 -0.415507D+00 -0.325711D+01  0.101999D-01 -0.110688D+01
      2   0.411269D+00 -0.272463D+00  0.101999D-01 -0.590468D+00  0.383713D+00
      3  -0.272463D+00  0.849467D-01 -0.110688D+01  0.383713D+00 -0.761003D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111320D+01 -0.356192D+00  0.329912D+01 -0.124706D+01  0.446266D+00
      2  -0.746326D+00  0.231751D+01  0.217170D+01 -0.778593D+00  0.321337D+01
      3  -0.198208D+01 -0.132811D+02 -0.227979D+01  0.489671D+01 -0.827270D+00
                 6             7             8             9            10 
      1  -0.294421D+01  0.647076D+01  0.283971D+01  0.121794D+01 -0.288437D-02
      2  -0.679786D+01 -0.538280D+01 -0.949506D+01 -0.342824D+01  0.327052D+01
      3  -0.244347D+01  0.548993D-01 -0.436759D+01  0.383273D+01 -0.144673D+00
                11            12            13            14            15 
      1   0.960713D+00 -0.279707D+01  0.126441D+01 -0.706019D+00 -0.296505D+01
      2   0.147875D+01 -0.152698D+01  0.938278D+00 -0.122988D+01 -0.139466D+01
      3  -0.170548D+01 -0.173694D+01  0.180738D+01  0.686414D+01 -0.135271D-02
                16            17            18            19            20 
      1  -0.529487D+01  0.222865D+01 -0.114198D+01  0.751815D+00 -0.427869D+00
      2  -0.131452D+02 -0.119064D+01 -0.286821D+01  0.474521D-02 -0.130450D+01
      3  -0.436454D+01 -0.493839D+00  0.544623D+01 -0.657083D+01  0.672598D+01
                21            22            23            24            25 
      1  -0.815734D+00 -0.295552D+01 -0.139874D+01  0.186951D+01  0.970869D+00
      2  -0.161019D+01 -0.132059D+01  0.539495D+00  0.837239D+00 -0.136000D+02
      3   0.369551D+00  0.143540D+02  0.241031D+00  0.501566D+00 -0.168858D+00
                26            27            28            29            30 
      1   0.100442D+02  0.221107D+01 -0.103276D+01 -0.209988D+00  0.323955D+01
      2   0.789070D+00 -0.263727D+00  0.244187D+01  0.772142D-01 -0.133049D+01
      3   0.274013D+01 -0.697031D+00  0.648979D+01 -0.126579D+01  0.141712D+01
                31            32            33            34            35 
      1  -0.761805D+00 -0.182666D+00 -0.286364D+01  0.463001D+01  0.241628D+01
      2   0.335017D+01  0.112473D+01  0.738801D+00 -0.126361D+02  0.346198D+00
      3   0.706261D+01 -0.531927D+01  0.144165D+00  0.200488D+01 -0.167439D+00
                36            37            38            39            40 
      1  -0.622946D-01  0.100495D+01  0.630969D+00 -0.197545D+01  0.100329D+01
      2  -0.676665D+00 -0.160320D+00  0.115634D+01 -0.172305D-01  0.500118D+00
      3  -0.517038D+01 -0.334378D+01 -0.977396D+01 -0.204628D+01  0.609041D+01
                41            42            43            44            45 
      1   0.167848D+00 -0.353829D+01 -0.501832D+01  0.196005D+01 -0.122382D+01
      2  -0.300047D+01  0.697608D+01 -0.728717D+01  0.939752D+01  0.386201D+01
      3  -0.235045D+01  0.179271D+01 -0.176208D+00  0.135108D+01 -0.470289D+01
                46            47            48            49            50 
      1   0.153242D+00 -0.722898D+00 -0.701658D+00 -0.130938D+01 -0.275260D+01
      2  -0.331906D+00 -0.307571D+00  0.979296D+01 -0.336189D+01 -0.423081D+00
      3   0.714374D+00 -0.800052D+01  0.528368D+00  0.107893D+02  0.343300D+01
                51            52            53            54            55 
      1   0.309098D+01 -0.113596D+01  0.108015D+02  0.238236D+01 -0.186024D+01
      2  -0.498169D+00  0.817223D+01  0.210298D+00  0.291773D+01  0.149871D+01
      3   0.205209D+01  0.311723D+01  0.110052D+01  0.931204D+00  0.670341D+01
                56            57            58            59            60 
      1  -0.228465D+00  0.136868D+00 -0.216180D+01 -0.944507D+00  0.112633D+01
      2   0.246878D+01 -0.219047D+01  0.413826D+01  0.250665D+01 -0.701150D+01
      3   0.343944D+01 -0.145613D+01  0.137872D+02 -0.381508D+01  0.632737D+00
                61            62            63            64            65 
      1   0.405996D+01  0.681005D+01 -0.609460D+00 -0.288745D+01 -0.171275D+01
      2  -0.135576D+02 -0.880901D+01 -0.851502D+01  0.362071D+00 -0.196194D+01
      3  -0.171241D+01 -0.541464D+01  0.907022D+01  0.171275D+02 -0.940709D+01
                66            67            68            69            70 
      1   0.609520D+00 -0.100293D+01 -0.116245D+01 -0.265396D+00 -0.406386D+01
      2   0.456985D+01 -0.204181D+01  0.191656D+01  0.544378D+01 -0.366548D+01
      3   0.541380D+01  0.207807D+01  0.617117D+01 -0.205692D+01  0.517408D+01
                71            72            73            74            75 
      1   0.809433D+01  0.946598D+01  0.427337D+01 -0.208656D+01 -0.240935D+01
      2   0.582609D+01  0.110004D+02 -0.118524D+02 -0.512569D+01  0.700268D+01
      3  -0.112503D+01 -0.467449D+01 -0.981158D+01 -0.168513D+02  0.958764D+00
                76            77            78            79            80 
      1   0.552956D+00  0.864545D+01 -0.785862D+01 -0.116476D+01 -0.243196D+01
      2  -0.656090D+01 -0.381242D+00  0.760095D+01  0.170362D+01  0.743615D+01
      3  -0.963768D+01  0.176758D+02  0.213420D+00  0.210326D+01  0.253392D+01
                81            82            83            84            85 
      1  -0.849552D+01 -0.519222D+00  0.650169D+00 -0.360595D+00  0.138836D+01
      2   0.128906D+02 -0.180351D+01  0.105801D+01 -0.508658D+00  0.174829D+01
      3  -0.719178D+01  0.220108D+01  0.653146D+00 -0.144685D+00  0.108962D+01
                86            87            88            89            90 
      1  -0.208929D+01 -0.582272D+01  0.247594D+01 -0.308190D+01 -0.107907D+02
      2  -0.257896D+01 -0.666287D+01  0.108424D+00 -0.669762D+01 -0.113311D+02
      3   0.439339D+01  0.175239D+01  0.624899D+00  0.564107D+01  0.637726D+01
                91            92            93            94            95 
      1  -0.764694D+00  0.115072D+01 -0.422830D+00  0.112034D+01  0.876757D+00
      2   0.182596D+01  0.443474D+00  0.296159D+01 -0.339686D+00  0.169573D+01
      3  -0.166942D+01 -0.370174D+01 -0.447568D+00 -0.159325D+01 -0.185965D+01
                96            97            98            99           100 
      1  -0.113600D+01 -0.125764D+01  0.213504D+01 -0.148389D+01  0.106446D+01
      2   0.423953D+01  0.107912D+01  0.341404D+01  0.126105D+02 -0.219211D+01
      3  -0.353998D+01  0.746736D-01 -0.316514D+01 -0.467884D+01  0.911552D+00
               101           102           103           104           105 
      1   0.105406D+01  0.115668D+01  0.133758D+00  0.235764D+01  0.244135D+01
      2  -0.303794D-01 -0.242296D+01 -0.336441D+00 -0.275596D+01 -0.519524D+01
      3   0.118014D+01 -0.852434D+00  0.138914D+01  0.603985D+00  0.267424D+01
               106           107           108           109           110 
      1  -0.338353D+00  0.490467D+01  0.107895D+02 -0.204748D+01  0.163338D+01
      2  -0.299038D+01 -0.204294D+01 -0.184802D+02 -0.212976D+00  0.155923D+01
      3  -0.119418D+01  0.335950D+01  0.230666D+01 -0.746672D+01  0.722465D+01
               111           112           113           114           115 
      1   0.165903D+01  0.167279D+01 -0.611684D+01 -0.342318D+01  0.870904D+00
      2  -0.105791D+01  0.144148D+01 -0.270725D+01  0.177373D+01 -0.165008D+01
      3   0.460179D-01  0.953779D+01 -0.229808D+02  0.131954D+01  0.129658D+01
               116           117           118           119           120 
      1  -0.260277D+00  0.478465D+00 -0.685150D+00 -0.754943D+00 -0.202892D+01
      2   0.142097D+01 -0.107762D+01  0.784165D+01  0.911292D+00  0.661490D+01
      3  -0.570725D+00 -0.255773D+01  0.107137D+02 -0.435956D+01  0.635462D+00
               121           122           123           124           125 
      1  -0.665468D+00 -0.895480D+00 -0.400450D+00 -0.145895D+01  0.677540D+00
      2   0.141226D+01  0.767727D+00 -0.267645D+00  0.220815D+01 -0.196019D+00
      3  -0.298995D+00 -0.225330D+01 -0.255193D+00  0.425192D+00 -0.121147D+01
               126           127           128           129           130 
      1   0.960083D-01  0.100958D+01 -0.409046D+00  0.149300D+01  0.755421D-02
      2   0.292524D+00  0.147933D+01 -0.196471D+00 -0.279981D-01 -0.513190D+00
      3   0.153545D+01 -0.102025D+02  0.465512D+01 -0.415196D+00  0.795433D+01
               131           132           133           134           135 
      1  -0.297340D-01 -0.337019D+01 -0.322741D+00  0.167535D+01  0.266065D+00
      2   0.846949D+00 -0.840962D+00 -0.156281D+01  0.411529D+00 -0.892609D-01
      3  -0.668773D+01 -0.709783D+00 -0.575974D+00  0.598012D-01 -0.111503D+00
               136           137           138           139           140 
      1  -0.240180D+00 -0.307414D-01 -0.196700D+01 -0.215766D+00  0.355788D+00
      2   0.549805D+00  0.822190D+00  0.210012D+01  0.771338D+00  0.267983D+01
      3  -0.102525D+01 -0.328790D+01 -0.497084D+00 -0.207101D+01 -0.132224D+02
               141           142           143           144           145 
      1  -0.406334D+01  0.571268D+00  0.208904D+01 -0.478982D+00 -0.122376D+00
      2   0.341516D+01 -0.645200D+00 -0.171221D+00  0.583037D+00  0.188099D+01
      3  -0.224957D+01 -0.517177D+00 -0.262984D+01 -0.366717D+00  0.238900D+00
               146           147           148           149           150 
      1   0.416168D+00 -0.196836D+00  0.213622D+00 -0.195049D-01 -0.322326D+00
      2  -0.794241D-01  0.629565D+01  0.135071D+01  0.355768D+00  0.386653D+00
      3  -0.529535D+01  0.176885D+00 -0.394922D+01 -0.233782D+00 -0.418514D+00
               151           152           153           154           155 
      1   0.119297D+00  0.597434D+00  0.401941D-01  0.307080D+00 -0.694535D+00
      2  -0.301314D+01  0.419566D-01  0.414285D+00  0.300567D+00 -0.383687D+00
      3  -0.129158D+01 -0.573634D+00 -0.252703D+00  0.141946D+01 -0.471034D+01
               156           157           158           159           160 
      1   0.209120D+01  0.241031D+00  0.157612D+00 -0.364369D+01 -0.860189D+00
      2   0.232550D+01  0.505696D+00 -0.108421D+01 -0.317515D+01 -0.797164D+00
      3  -0.625355D-01 -0.315974D+01  0.122367D+02  0.113585D+01 -0.804182D+00
               161           162           163           164           165 
      1   0.168091D+01 -0.328369D+00  0.721532D+00  0.394756D+00 -0.162316D+01
      2   0.482906D+00 -0.395232D+00 -0.160346D+01 -0.101968D+01  0.195967D+00
      3   0.218988D+01  0.357135D+00  0.805981D+01  0.471853D+01  0.857252D+00
               166           167           168           169           170 
      1   0.526256D+00  0.954267D+00 -0.367850D+01  0.413656D+00  0.245173D+01
      2  -0.164306D+01 -0.160592D+01  0.485086D+00 -0.199432D+01 -0.634554D+00
      3   0.794925D+01  0.817136D+01  0.192760D+01  0.142016D+01  0.246566D+01
               171           172           173           174           175 
      1  -0.372247D+00  0.198962D+01  0.743063D+00  0.161362D+01  0.100026D+01
      2   0.121363D+00 -0.135812D+01  0.152090D+00  0.459359D+01  0.739559D+00
      3   0.383964D+00 -0.128036D+02 -0.319896D+01 -0.250550D+01 -0.279233D-01
               176           177           178           179           180 
      1   0.300649D+00 -0.164201D+00  0.773870D+00  0.609675D+00  0.806016D-01
      2   0.120181D+00 -0.529721D-01  0.608013D+00 -0.982151D+00  0.124008D+01
      3   0.201650D+00 -0.127870D+01 -0.549073D+01 -0.172222D+01  0.163193D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.283356D+01  0.236968D+02  0.513420D+01 -0.249402D+02  0.678866D+01
      2  -0.481280D+01 -0.137756D+02  0.665518D+00  0.256370D+02 -0.122136D+02
      3   0.197924D+01 -0.992117D+01 -0.579971D+01 -0.696819D+00  0.542495D+01
      4   0.200223D+02  0.174371D+01  0.456090D+01  0.634894D+01  0.129594D+02
      5   0.815071D+00  0.418438D+01  0.476855D+01 -0.250795D+01  0.800888D+01
      6   0.257584D+01 -0.236831D+01 -0.731428D+01  0.660908D+01 -0.606299D+01
                 6             7             8             9            10 
      1   0.187883D+01 -0.766106D+01  0.625779D+01  0.520265D+00  0.843322D+01
      2  -0.194596D+01  0.871433D+01 -0.850267D+01 -0.759539D+01 -0.716023D+01
      3   0.671274D-01 -0.105327D+01  0.224488D+01  0.707512D+01 -0.127299D+01
      4   0.866870D+01  0.208914D+01  0.734387D+01 -0.136637D+02 -0.127404D+02
      5  -0.138483D+02  0.186876D+02 -0.142409D+02 -0.743629D+01 -0.444989D+00
      6   0.695896D+01 -0.684102D+01  0.130832D+02 -0.560900D+00 -0.306135D+01
                11            12            13            14            15 
      1  -0.142574D+02 -0.184896D-01  0.310090D+01  0.774121D+01  0.447744D+01
      2   0.105659D+02 -0.179949D+01 -0.988697D+01 -0.108873D+02 -0.622012D+01
      3   0.369156D+01  0.181798D+01  0.678606D+01  0.314611D+01  0.174268D+01
      4  -0.173865D+02 -0.436125D+01  0.114618D+02 -0.127271D+02 -0.153642D+01
      5  -0.420175D+01 -0.480630D+01  0.979329D+00 -0.152197D+01 -0.124641D+01
      6  -0.256209D+01  0.589666D+01 -0.510397D+01 -0.915171D+01  0.412968D+01
                16            17            18            19            20 
      1   0.226878D+01  0.145214D+01 -0.154339D+02 -0.230172D+02 -0.199095D+00
      2  -0.414832D+01 -0.706141D+01  0.196620D+00  0.851790D+01  0.135320D+00
      3   0.187954D+01  0.560927D+01  0.152373D+02  0.144993D+02  0.637753D-01
      4   0.792744D-01 -0.368795D+01 -0.635534D+01  0.119996D+02  0.291310D+01
      5  -0.980912D-01 -0.524593D+01 -0.613442D+01  0.466118D+00  0.668447D+00
      6   0.321142D+01  0.116900D+02  0.434517D+01 -0.688974D+00 -0.119669D+00
                21            22            23            24            25 
      1   0.335156D+00  0.446030D+00 -0.751208D+01  0.149204D+00 -0.813688D+01
      2  -0.686765D+00 -0.172981D+01  0.135742D+02  0.408188D+01  0.196529D+01
      3   0.351609D+00  0.128378D+01 -0.606214D+01 -0.423108D+01  0.617160D+01
      4   0.109434D+01 -0.104025D+02 -0.294434D+01 -0.160800D+01 -0.307257D+01
      5  -0.869793D+00 -0.373723D+01 -0.969568D+00  0.200096D+01  0.360364D+01
      6   0.439517D+00 -0.225936D+01  0.245906D+01 -0.345005D+01 -0.126372D+01
                26            27            28            29            30 
      1  -0.881880D+00 -0.988536D+01  0.556175D+01  0.167261D+02  0.517914D+01
      2   0.167491D+01 -0.326734D+01 -0.595929D+01 -0.113831D+02 -0.130469D+01
      3  -0.793033D+00  0.131527D+02  0.397539D+00 -0.534301D+01 -0.387445D+01
      4  -0.332002D+01  0.245725D+01  0.793827D+01 -0.110245D+02  0.264324D+00
      5   0.198615D+01 -0.555284D-01  0.195200D+01  0.179761D+00 -0.175942D+01
      6   0.575816D+01 -0.278004D+01  0.311333D+01 -0.275897D+01 -0.658552D+01
                31            32            33            34            35 
      1  -0.187455D+01  0.269962D+01  0.236893D+01 -0.517360D+00  0.372999D+01
      2   0.108215D+02 -0.737623D+01 -0.232639D+01  0.284033D+01 -0.547946D+01
      3  -0.894696D+01  0.467660D+01 -0.425421D-01 -0.232297D+01  0.174948D+01
      4   0.461668D+01  0.145112D+02  0.182548D+01  0.651849D+00 -0.166669D+01
      5   0.152863D+01  0.168370D+01  0.534055D+00  0.356775D+01  0.391033D+01
      6   0.510798D+01 -0.336532D+01  0.705356D+01 -0.226595D+01  0.134656D+02
                36            37            38            39            40 
      1  -0.146948D+02  0.430841D+01 -0.220699D+02 -0.253669D+01  0.243987D+02
      2   0.199255D+01 -0.322394D+01  0.137929D+02  0.988326D+00 -0.240093D+02
      3   0.127022D+02 -0.108447D+01  0.827705D+01  0.154837D+01 -0.389384D+00
      4   0.385079D+01 -0.135864D+02 -0.654946D+01 -0.513467D+01  0.746713D+01
      5  -0.166848D+01 -0.423165D+01 -0.493666D+01 -0.179756D+01 -0.141328D+01
      6   0.466315D+00 -0.555655D+01 -0.207737D+01  0.486153D+01 -0.516938D+01
                41            42            43            44            45 
      1   0.105510D+02  0.153847D+01  0.231694D+01 -0.293187D+01 -0.464698D+01
      2  -0.152580D+02 -0.612615D+01 -0.621726D+01 -0.497835D+01 -0.607500D+01
      3   0.470698D+01  0.458767D+01  0.390032D+01  0.791022D+01  0.107220D+02
      4  -0.477019D+01 -0.624454D+01 -0.550745D+01 -0.999174D+01  0.138811D+02
      5  -0.619328D+01  0.143211D+02  0.141116D+02  0.145660D+02  0.762199D+01
      6  -0.948052D+01  0.648149D+01  0.560393D+01  0.139278D+02  0.331229D+01
                46            47            48            49            50 
      1  -0.128711D+02 -0.952764D+00 -0.749356D+01  0.408427D+01 -0.214264D+02
      2   0.665827D+01  0.809596D+00  0.371433D+01 -0.253354D+01  0.196440D+02
      3   0.621284D+01  0.143168D+00  0.377923D+01 -0.155073D+01  0.178240D+01
      4  -0.126530D+01  0.238771D+02  0.337787D-03 -0.218357D+02 -0.677193D+01
      5  -0.900387D+01 -0.134170D+00  0.212641D+02 -0.103226D+02 -0.284025D+01
      6   0.497264D+00  0.610631D+00  0.144222D+01 -0.287982D+01  0.421836D+01
                51            52            53            54            55 
      1  -0.598262D+01 -0.798045D+01 -0.648882D+01  0.124871D+02  0.166900D+02
      2   0.923438D+01  0.254078D+01  0.497146D+01 -0.169993D+02 -0.689204D+01
      3  -0.325176D+01  0.543967D+01  0.151736D+01  0.451220D+01 -0.979797D+01
      4  -0.354047D+01 -0.113707D+02  0.101071D+01 -0.665200D+00 -0.696962D+01
      5  -0.104087D+01  0.353246D+02  0.822206D-01  0.612395D+01 -0.792129D-01
      6  -0.605018D+01  0.186769D+00  0.643334D+01 -0.386570D+01  0.232446D+00
                56            57            58            59            60 
      1   0.505283D+00  0.253260D+00  0.136170D+00 -0.757211D+01  0.146070D+01
      2   0.310185D+01  0.310389D+00  0.590953D+01  0.358023D+01 -0.619557D+00
      3  -0.360713D+01 -0.563649D+00 -0.604570D+01  0.399188D+01 -0.841142D+00
      4  -0.192967D+02  0.528646D+01 -0.293144D+02 -0.324301D+01  0.324729D+01
      5   0.584252D+01 -0.133175D+02  0.939749D+01  0.227901D+01 -0.190846D+02
      6   0.147104D+01 -0.184064D+01  0.355416D+01  0.700994D+01 -0.115462D+02
                61            62            63            64            65 
      1   0.125557D+02  0.679909D+01 -0.562572D-01 -0.386522D+02  0.567412D+01
      2   0.202179D+01  0.161625D+01  0.980644D+01  0.243457D+02 -0.713882D+01
      3  -0.145774D+02 -0.841534D+01 -0.975019D+01  0.143064D+02  0.146470D+01
      4   0.120044D+02  0.126574D+02 -0.231606D+02  0.817299D+01  0.141187D+02
      5  -0.203778D+02 -0.212464D+02 -0.218341D+02 -0.119983D+02 -0.589816D+01
      6  -0.111990D+02 -0.469456D+01 -0.636748D+01  0.215628D+01  0.414659D+01
                66            67            68            69            70 
      1  -0.105251D+02 -0.882553D-01 -0.200613D+01 -0.170630D+01 -0.101631D+02
      2   0.708624D+01 -0.426201D+01  0.159343D+02 -0.284272D+00  0.790012D+01
      3   0.343882D+01  0.435027D+01 -0.139282D+02  0.199057D+01  0.226299D+01
      4  -0.460266D+01  0.201829D+02 -0.188509D+02  0.747010D+01 -0.680525D+01
      5   0.552559D+01 -0.114712D+02  0.690214D+01  0.102065D+02  0.327509D+01
      6  -0.232385D+01  0.338372D+01 -0.860610D+01  0.198031D+01  0.191538D+01
                71            72            73            74            75 
      1   0.669070D+00 -0.112994D+01 -0.578673D+02 -0.178445D+02 -0.212824D+01
      2  -0.119236D+01 -0.720838D+01  0.237769D+02  0.163274D+02  0.434348D+01
      3   0.523287D+00  0.833831D+01  0.340903D+02  0.151714D+01 -0.221524D+01
      4   0.733336D+01  0.776826D+01 -0.210683D+02  0.151597D+02 -0.671379D+01
      5   0.729349D+01  0.229785D+02 -0.262448D+01 -0.387170D+01  0.113405D+02
      6  -0.405855D+00 -0.164496D+02 -0.452780D+01 -0.567447D+01  0.428815D+01
                76            77            78            79            80 
      1  -0.863996D+01  0.209055D+02  0.258094D+01 -0.122589D+02 -0.337501D+00
      2   0.810249D+01 -0.237970D+02  0.641641D+01  0.554470D+01  0.263829D+01
      3   0.537472D+00  0.289149D+01 -0.899735D+01  0.671417D+01 -0.230079D+01
      4   0.193570D+02 -0.516985D+01 -0.522650D+01 -0.161768D+02 -0.120201D+02
      5  -0.930568D+01 -0.807465D+01  0.163695D+02  0.146977D+02  0.175124D+02
      6  -0.638560D+01 -0.402106D+01  0.877326D+01  0.788658D+01  0.884603D+01
                81            82            83            84            85 
      1   0.129959D+02  0.148306D+01 -0.321300D+01 -0.197192D+01 -0.514402D+01
      2   0.910893D+01 -0.507285D+00  0.103835D+01  0.188204D+00  0.153624D+01
      3  -0.221048D+02 -0.975779D+00  0.217465D+01  0.178372D+01  0.360777D+01
      4   0.212940D+02 -0.355177D+01  0.759004D+00  0.294180D+01  0.591456D+01
      5   0.167455D+02 -0.256183D+01  0.225251D+01 -0.118376D-01  0.438732D+01
      6   0.102853D+01  0.174721D+01 -0.128760D+01  0.545051D+00 -0.246542D+01
                86            87            88            89            90 
      1  -0.330294D+01  0.264731D+00 -0.677247D+01 -0.100378D+01 -0.579218D+01
      2   0.440685D+01  0.201593D+01  0.284577D+01  0.273419D+01  0.239315D+01
      3  -0.110391D+01 -0.228066D+01  0.392670D+01 -0.173041D+01  0.339903D+01
      4  -0.101711D+02 -0.592126D+01  0.849123D+01 -0.115911D+02 -0.124112D+02
      5  -0.512917D+01 -0.129974D+02  0.676897D+01 -0.126883D+02 -0.233993D+02
      6   0.453680D+01  0.108252D+02 -0.345122D+01  0.105007D+02  0.158639D+02
                91            92            93            94            95 
      1   0.455736D+01  0.119641D+01  0.417584D+01  0.887932D+00 -0.270563D+01
      2  -0.646658D+01 -0.129452D+01 -0.460185D+01 -0.242080D+01 -0.449100D+00
      3   0.190923D+01  0.981174D-01  0.426010D+00  0.153287D+01  0.315473D+01
      4   0.453597D+01  0.708916D+01  0.263056D+01  0.982442D+01  0.656592D+01
      5   0.976513D+01  0.266650D+01  0.131969D+02  0.375337D+01  0.659906D+01
      6   0.324653D+01  0.166390D+00  0.205258D+01  0.221328D+01  0.464302D+01
                96            97            98            99           100 
      1  -0.286296D+01  0.242236D+01 -0.344380D+01 -0.108551D+02  0.376418D+01
      2  -0.812329D+00 -0.857691D+01 -0.259350D+01 -0.151369D+02 -0.434963D+01
      3   0.367529D+01  0.615455D+01  0.603730D+01  0.259920D+02  0.585454D+00
      4   0.702014D+01  0.324130D+01  0.689777D+01  0.986279D+01  0.106021D+01
      5   0.102289D+02  0.188374D+02  0.934054D+01  0.328726D+02 -0.302983D+01
      6   0.101090D+02  0.507106D+01  0.701649D+01  0.122204D+02 -0.749533D-01
               101           102           103           104           105 
      1   0.144785D+01 -0.660366D+01 -0.187144D+01 -0.460432D+01 -0.217905D+01
      2  -0.179507D+01  0.739372D+00  0.152565D+01  0.868917D+00 -0.582838D+01
      3   0.347219D+00  0.586428D+01  0.345792D+00  0.373540D+01  0.800744D+01
      4  -0.178443D+01 -0.728593D+00 -0.586457D+00 -0.290392D+01 -0.493326D+01
      5   0.790370D+00  0.590781D+00  0.382012D+01 -0.365378D+01 -0.957896D+01
      6   0.163987D+01 -0.134347D+01  0.165798D+00  0.181592D+01  0.301735D+01
               106           107           108           109           110 
      1  -0.563885D+01 -0.374508D+00 -0.175435D+02 -0.271499D+01  0.981464D+01
      2   0.395222D+01 -0.409167D+01 -0.178939D+02  0.550545D+01 -0.107911D+02
      3   0.168662D+01  0.446617D+01  0.354374D+02 -0.279046D+01  0.976460D+00
      4  -0.229766D+01 -0.657910D+01 -0.510590D+01  0.119798D+01 -0.321043D+01
      5   0.770065D+01 -0.252846D+01 -0.313605D+02  0.215286D+01 -0.158827D+00
      6   0.763062D+00  0.388982D+01 -0.967010D+01 -0.273250D-01  0.258160D+01
               111           112           113           114           115 
      1  -0.596061D+00  0.978414D+01 -0.275941D+02  0.242234D+01  0.177410D+01
      2  -0.334736D+00 -0.774663D+01  0.415199D+02 -0.147577D+01 -0.121609D+01
      3   0.930797D+00 -0.203751D+01 -0.139257D+02 -0.946566D+00 -0.558014D+00
      4   0.154625D+01  0.368433D+01  0.308894D+02 -0.283060D+01  0.226997D+01
      5  -0.223763D+01 -0.275150D+01 -0.503700D+00  0.380622D+01 -0.255566D+00
      6  -0.274956D+01  0.823556D+00 -0.886306D+01  0.658361D+01 -0.182306D+01
               116           117           118           119           120 
      1   0.122991D+01 -0.597872D+01  0.832224D+02  0.120230D+02  0.247787D+01
      2   0.379497D+00  0.323986D+01 -0.389049D+02 -0.284524D+01  0.252261D+00
      3  -0.160940D+01  0.273887D+01 -0.443174D+02 -0.917772D+01 -0.273013D+01
      4   0.137111D+01  0.141289D+01  0.356128D+02  0.170031D+02 -0.438942D-01
      5   0.217333D+01 -0.121085D+01 -0.962117D+01 -0.206979D+01  0.107314D+02
      6   0.663129D+01 -0.119286D+01 -0.470935D+00 -0.156581D+01  0.383465D+01
               121           122           123           124           125 
      1   0.322572D+01  0.569341D+01  0.162444D+00  0.970825D+01  0.865857D+00
      2   0.144181D+01  0.681698D+00 -0.477246D+00 -0.383030D+01  0.300556D+00
      3  -0.466753D+01 -0.637510D+01  0.314802D+00 -0.587795D+01 -0.116641D+01
      4   0.137601D+02  0.838610D+01  0.670001D+00  0.463032D+01  0.383048D+01
      5   0.263753D+00 -0.949710D-01 -0.574155D+00  0.104256D+02  0.713077D+00
      6  -0.940967D+00 -0.508526D+00  0.834374D+00  0.339888D+01  0.995942D+00
               126           127           128           129           130 
      1   0.610795D+01 -0.378611D+01  0.661214D+01  0.935690D+00  0.812503D+01
      2  -0.544748D+01  0.617833D+01 -0.946663D+01 -0.750327D+00 -0.112095D+02
      3  -0.660473D+00 -0.239222D+01  0.285449D+01 -0.185364D+00  0.308445D+01
      4   0.171358D+01 -0.789614D+01  0.653163D+01  0.687034D+00  0.695531D+01
      5   0.114908D+00 -0.753961D-01  0.951039D+00  0.606739D+00  0.839134D+00
      6   0.536414D+00 -0.577230D+00 -0.337649D+00 -0.162681D+01 -0.806750D+00
               131           132           133           134           135 
      1  -0.240767D+02 -0.234318D+01  0.450854D+00 -0.176667D+01 -0.786472D+00
      2   0.327922D+02  0.194783D+01 -0.924975D+00  0.242235D+01  0.160227D+01
      3  -0.871549D+01  0.395346D+00  0.474121D+00 -0.655681D+00 -0.815797D+00
      4  -0.623176D+01 -0.268147D+00  0.962095D-01 -0.182581D+00 -0.156619D+01
      5  -0.822356D+00 -0.110497D+01  0.778781D+00 -0.873145D+00 -0.189250D+00
      6   0.278589D+01  0.522309D+01 -0.906048D+00  0.200427D+01  0.176699D+00
               136           137           138           139           140 
      1   0.869075D+01  0.674803D+01  0.123151D+01  0.976806D+00 -0.102319D+02
      2   0.219884D+01  0.455016D+01  0.159172D+00  0.109353D+02  0.317529D+02
      3  -0.108896D+02 -0.112982D+02 -0.139068D+01 -0.119121D+02 -0.215210D+02
      4   0.231810D+02  0.264136D+02  0.538072D+01  0.280625D+02  0.480552D+02
      5   0.493521D+01  0.511977D+01  0.515042D+01  0.531032D+01  0.819565D+01
      6   0.365789D+01  0.416956D+01  0.322807D+01  0.519965D+01  0.106560D+02
               141           142           143           144           145 
      1  -0.206269D+01  0.102310D+01 -0.126115D+01 -0.958247D+00  0.102345D+03
      2   0.393187D+01  0.154978D+01  0.518365D+01  0.222904D+01 -0.586836D+02
      3  -0.186917D+01 -0.257288D+01 -0.392250D+01 -0.127079D+01 -0.436615D+02
      4   0.882804D+01  0.712138D+01  0.107925D+02  0.378592D+01  0.413582D+01
      5   0.597777D+01  0.241342D+01  0.298686D+01  0.225381D+01  0.121644D+02
      6   0.801102D+01  0.236117D+01  0.407116D+01  0.287704D+01 -0.191322D+01
               146           147           148           149           150 
      1   0.292896D+01  0.821187D+01  0.196354D+01  0.933419D+01  0.133744D+01
      2  -0.145532D+01 -0.562044D+01 -0.924021D+00 -0.457750D+01 -0.114719D+01
      3  -0.147364D+01 -0.259143D+01 -0.103952D+01 -0.475669D+01 -0.190252D+00
      4   0.848566D+01  0.145243D+00  0.148591D+02  0.115878D+01  0.138564D+01
      5   0.165104D+00  0.107461D+02  0.275542D+01  0.141861D+01  0.599345D+00
      6   0.553474D+00 -0.238664D-01  0.102356D+01 -0.722191D-01  0.146492D+01
               151           152           153           154           155 
      1   0.102026D+02  0.155494D+01  0.367070D+01  0.158226D+02 -0.105088D+02
      2  -0.595125D+01 -0.923477D+00 -0.216893D+01 -0.464277D+00 -0.348310D+01
      3  -0.425136D+01 -0.631464D+00 -0.150176D+01 -0.153584D+02  0.139919D+02
      4   0.291081D+01  0.111670D+01  0.512288D+00 -0.293684D+02  0.300576D+02
      5   0.286546D+01  0.284442D+00  0.185028D+01 -0.374636D+01  0.282671D+01
      6   0.979842D-02  0.490908D+00  0.291989D+00  0.131566D+01 -0.106126D+01
               156           157           158           159           160 
      1  -0.142213D+01 -0.577133D+01 -0.153228D+01 -0.592099D-01  0.410827D+00
      2   0.356648D+00 -0.908240D+01  0.235168D+02  0.124423D+01 -0.163788D+01
      3   0.106548D+01  0.148537D+02 -0.219845D+02 -0.118502D+01  0.122705D+01
      4   0.258138D+01  0.329849D+02 -0.477692D+02 -0.566417D+01  0.365732D+01
      5   0.497997D+01  0.485953D+01 -0.643512D+01 -0.549443D+01  0.206271D+01
      6  -0.286913D+01 -0.313682D+01  0.498101D+01  0.611730D+01 -0.160445D+01
               161           162           163           164           165 
      1  -0.113682D+01 -0.386983D+00 -0.523951D+01 -0.762050D+01 -0.280301D+01
      2   0.328610D+01  0.155142D+01  0.646222D+01  0.887194D+01  0.175100D+01
      3  -0.214928D+01 -0.116444D+01 -0.122272D+01 -0.125144D+01  0.105201D+01
      4  -0.585939D+01 -0.299454D+01  0.521492D+01  0.696639D+01  0.126807D+01
      5  -0.198068D+01 -0.950822D+00  0.424613D+00  0.853220D+00  0.153996D+01
      6   0.249446D+01  0.142932D+01  0.267861D+01  0.401487D+01  0.277738D+01
               166           167           168           169           170 
      1  -0.815917D+01 -0.284698D+02 -0.730459D+01 -0.237863D+01 -0.659029D+01
      2   0.101703D+02  0.362623D+02  0.647918D+01  0.249460D+01  0.753473D+01
      3  -0.201117D+01 -0.779251D+01  0.825406D+00 -0.115972D+00 -0.944442D+00
      4   0.581980D+01  0.198924D+01  0.616518D-01  0.155854D+01  0.781534D+00
      5   0.561711D+00 -0.677288D+00  0.432574D+00  0.110451D+01  0.709786D+00
      6   0.338312D+01  0.115910D+02  0.796612D+01  0.145536D+01  0.462952D+01
               171           172           173           174           175 
      1  -0.296581D+01  0.678725D+02 -0.954280D+01  0.113484D+02 -0.122259D+01
      2   0.312360D+01 -0.369374D+02  0.365297D+01 -0.704869D+01 -0.111035D+01
      3  -0.157785D+00 -0.309351D+02  0.588984D+01 -0.429970D+01  0.233295D+01
      4   0.206168D+01 -0.257521D+02  0.106454D+02 -0.272856D+01  0.691713D+01
      5   0.111877D+01  0.171298D+02 -0.115529D+01  0.102182D+02  0.305335D+01
      6   0.316964D+01 -0.432271D+01  0.459170D+00 -0.268869D+01  0.722370D-01
               176           177           178           179           180 
      1   0.231309D+01  0.314316D+01  0.167822D+02  0.942335D+00  0.475955D+01
      2   0.400523D-01 -0.265639D+01 -0.114588D+02 -0.635083D+00 -0.402406D+01
      3  -0.235314D+01 -0.486768D+00 -0.532339D+01 -0.307252D+00 -0.735488D+00
      4  -0.208843D+01  0.984390D+00 -0.357142D+01  0.176325D+01 -0.267794D+01
      5   0.182907D+01  0.493224D+00  0.105835D+02 -0.188141D+01  0.494713D+01
      6  -0.491598D+00  0.137635D+01 -0.163552D+01  0.168349D+01 -0.756991D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x         -0.448079D+00     -0.113890D+01     -0.379898D+01
   y         -0.269225D+00     -0.684303D+00     -0.228259D+01
   z          0.251131D+00      0.638311D+00      0.212918D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.126730D+03      0.187794D+02      0.208949D+02
   yx         0.903546D+00      0.133892D+00      0.148975D+00
   yy         0.104140D+03      0.154319D+02      0.171703D+02
   zx         0.281518D+01      0.417167D+00      0.464160D+00
   zy         0.483741D+01      0.716830D+00      0.797581D+00
   zz         0.670564D+02      0.993673D+01      0.110561D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108149D+03      0.160261D+02      0.178314D+02
   aniso      0.532135D+02      0.788543D+01      0.877372D+01
   xx         0.136077D+03      0.201646D+02      0.224361D+02
   yx         0.873412D+00      0.129426D+00      0.144006D+00
   yy         0.112512D+03      0.166725D+02      0.185507D+02
   zx         0.238807D+01      0.353875D+00      0.393739D+00
   zy         0.407397D+01      0.603700D+00      0.671707D+00
   zz         0.758592D+02      0.112412D+02      0.125075D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.53607466         -2.91565787         -2.07048292
     6          0.80927742         -2.47769656         -0.14723813
     6         -0.41786881         -0.15140609          0.08040782
     6          0.12047473          1.71930472         -1.68994411
     6          1.86242815          1.29147708         -3.61325982
     6          3.08052437         -1.02221775         -3.81064219
     6         -2.28067951          0.26781541          2.22650307
     7         -3.53850372          2.72350695          2.00979222
     6         -1.00691239         -0.12238757          4.80789847
     1         -2.31712068          4.13597487          2.45183943
     1         -3.76994216         -1.15498740          2.02586317
     1          0.49266060          1.27239073          5.07259673
     1         -0.16500461         -1.99494953          4.98796836
     1         -2.38650853          0.10758568          6.32565263
     1         -0.86785450          3.50307433         -1.59509886
     1          2.25297917          2.77345077         -4.96906539
     1          4.42973347         -1.35680704         -5.31103090
     1          3.45534572         -4.73780743         -2.21482921
     1          0.39850037         -3.97621185          1.18553158
     1         -4.97315233          2.82834855          3.27258364

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.579935D+00      0.147405D+01      0.491689D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.900945D+02      0.133506D+02      0.148546D+02
   yx        -0.132642D+02     -0.196555D+01     -0.218697D+01
   yy         0.100341D+03      0.148689D+02      0.165439D+02
   zx        -0.258890D+02     -0.383636D+01     -0.426853D+01
   zy        -0.415201D+01     -0.615264D+00     -0.684573D+00
   zz         0.107491D+03      0.159285D+02      0.177229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108149D+03      0.160261D+02      0.178314D+02
   aniso      0.532135D+02      0.788543D+01      0.877372D+01
   xx         0.989748D+02      0.146666D+02      0.163187D+02
   yx        -0.137144D+02     -0.203227D+01     -0.226120D+01
   yy         0.108376D+03      0.160597D+02      0.178688D+02
   zx        -0.256787D+02     -0.380519D+01     -0.423384D+01
   zy        -0.377724D+01     -0.559729D+00     -0.622782D+00
   zz         0.117097D+03      0.173520D+02      0.193067D+02

 ----------------------------------------------------------------------
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 THERE IS NO SUBJECT, HOWEVER COMPLEX,
 WHICH, IF STUDIED WITH PATIENCE AND INTELLIGIENCE
 WILL NOT BECOME
 MORE COMPLEX
                        QUOTED BY D. GORDON ROHMAN
 Job cpu time:       0 days  7 hours 59 minutes 47.5 seconds.
 Elapsed time:       0 days  1 hours  0 minutes  2.8 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:09:13 2021.
